@article{KramerNoackReinefeldetal.2018, author = {Kramer, Tobias and Noack, Matthias and Reinefeld, Alexander and Rodr{\´i}guez, Mirta and Zelinskyi, Yaroslav}, title = {Efficient calculation of open quantum system dynamics and time-resolved spectroscopy with Distributed Memory HEOM (DM-HEOM)}, volume = {39}, journal = {Journal of Computational Chemistry}, number = {22}, publisher = {Wiley Periodicals, Inc.}, arxiv = {http://arxiv.org/abs/arXiv:1803.03498}, doi = {doi:10.1002/jcc.25354}, pages = {1779 -- 1794}, year = {2018}, abstract = {Time- and frequency resolved optical signals provide insights into the properties of light harvesting molecular complexes, including excitation energies, dipole strengths and orientations, as well as in the exciton energy flow through the complex. The hierarchical equations of motion (HEOM) provide a unifying theory, which allows one to study the combined effects of system-environment dissipation and non-Markovian memory without making restrictive assumptions about weak or strong couplings or separability of vibrational and electronic degrees of freedom. With increasing system size the exact solution of the open quantum system dynamics requires memory and compute resources beyond a single compute node. To overcome this barrier, we developed a scalable variant of HEOM. Our distributed memory HEOM, DM-HEOM, is a universal tool for open quantum system dynamics. It is used to accurately compute all experimentally accessible time- and frequency resolved processes in light harvesting molecular complexes with arbitrary system-environment couplings for a wide range of temperatures and complex sizes.}, language = {en} } @article{KramerNoackReimersetal.2018, author = {Kramer, Tobias and Noack, Matthias and Reimers, Jeffrey R. and Reinefeld, Alexander and Rodr{\´i}guez, Mirta and Yin, Shiwei}, title = {Energy flow in the Photosystem I supercomplex: comparison of approximative theories with DM-HEOM}, volume = {515}, journal = {Chemical Physics}, publisher = {Elsevier B.V.}, arxiv = {http://arxiv.org/abs/arXiv:1805.10484}, doi = {10.1016/j.chemphys.2018.05.028}, pages = {262 -- 271}, year = {2018}, abstract = {We analyze the exciton dynamics in PhotosystemI from Thermosynechococcus elongatus using the distributed memory implementation of the hierarchical equation of motion (DM-HEOM) for the 96 Chlorophylls in the monomeric unit. The exciton-system parameters are taken from a first principles calculation. A comparison of the exact results with Foerster rates and Markovian approximations allows one to validate the exciton transfer times within the complex and to identify deviations from approximative theories. We show the optical absorption, linear, and circular dichroism spectra obtained with DM-HEOM and compare them to experimental results.}, language = {en} } @article{NkenkeZachowBenzetal.2004, author = {Nkenke, Emeka and Zachow, Stefan and Benz, Michaela and Maier, Tobias and Veit, Klaus and Kramer, Manuel and Benz, St. and H{\"a}usler, Gerd and Neukam, Friedrich and Lell, Michael}, title = {Fusion of computed tomography data and optical 3D images of the dentition for streak artefact correction in the simulation of orthognathic surgery}, volume = {33}, journal = {Journal of Dento-Maxillofacial Radiology}, doi = {10.1259/dmfr/27071199}, pages = {226 -- 232}, year = {2004}, language = {en} } @inproceedings{LaeuterKramerRubinetal.2020, author = {L{\"a}uter, Matthias and Kramer, Tobias and Rubin, Martin and Altwegg, Kathrin}, title = {Gas production for 14 species on comet 67P/Churyumov-Gerasimenko from 2014-2016}, volume = {14}, booktitle = {Europlanet Science Congress}, publisher = {Europlanet Science Congress}, doi = {10.5194/epsc2020-319}, pages = {EPSC2020-319}, year = {2020}, abstract = {During a two year period between 2014 and 2016 the coma of comet 67P/Churyumov-Gerasimenko (67P/C-G) has been probed by the Rosetta spacecraft. Density data for 14 gas species was recorded with the COmet Pressure Sensor (COPS) and the Double Focusing Mass Spectrometer (DFMS) being two sensors of the ROSINA instrument. The combination with an inverse gas model yields emission rates on each of 3996 surface elements of a surface shape for the cometary nucleus. The temporal evolution of gas production, of relative abundances, and peak productions weeks after perihelion are investigated. Solar irradiation and gas production are in a complex relation revealing features differing for gas species, for mission time, and for the hemispheres of the comet. This characterization of gas composition allows one to correlate 67P/C-G to other solar and interstellar comets, their formation conditions and nucleus properties, see [Bodewits D., et al., 2020 Nature Astronomy].}, language = {en} } @inproceedings{LaeuterKramerRubinetal.2018, author = {L{\"a}uter, Matthias and Kramer, Tobias and Rubin, Martin and Altwegg, Kathrin}, title = {Gas production of comet 67P/Churyumov-Gerasimenko reconstructed from DFMS/COPS data}, volume = {12}, booktitle = {Europlanet Science Congress}, publisher = {Europlanet Science Congress}, pages = {EPSC2018-515-1}, year = {2018}, abstract = {We reconstruct the temporal evolution of surface emissions for the four major gas species H2O, CO2, CO, and O2 emitted during the 2015 apparition of comet 67P/Churyumov-Gerasimenko (67P/C-G). Measurements from the Double Focusing Mass Spectrometer (DFMS) of the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) and the COmet Pressure Sensor (COPS) are used to determine the gas sources on the surface with an inverse gas model for the entire coma. For all species, peak production rates and integrated production rates per orbit are evaluated separately for the northern and the southern hemisphere. Complemented with the total mass production, this allows us to estimate the dust-to-gas ratio of the emitted material.}, language = {en} } @article{KramerNoackBaumetal.2015, author = {Kramer, Tobias and Noack, Matthias and Baum, Daniel and Hege, Hans-Christian and Heller, Eric J.}, title = {Homogeneous dust emission and jet structure near active cometary nuclei: the case of 67P/Churyumov-Gerasimenko}, arxiv = {http://arxiv.org/abs/1505.08041}, year = {2015}, abstract = {We compute trajectories of dust grains starting from a homogeneous surface activity-profile on a irregularly shaped cometary nucleus. Despite the initially homogeneous dust distribution a collimation in jet-like structures becomes visible. The fine structure is caused by concave topographical features with similar bundles of normal vectors. The model incorporates accurately determined gravitational forces, rotation of the nucleus, and gas-dust interaction. Jet-like dust structures are obtained for a wide range of gas-dust interactions. For the comet 67P/Churyumov-Gerasimenko, we derive the global dust distribution around the nucleus and find several areas of agreement between the homogeneous dust emission model and the Rosetta observation of dust jets, including velocity-dependent bending of trajectories.}, language = {en} } @inproceedings{BuergerHayneGundlachetal.2023, author = {B{\"u}rger, Johanna and Hayne, Paul and Gundlach, Bastian and L{\"a}uter, Matthias and Kramer, Tobias and Blum, J{\"u}rgen}, title = {Investigating the Latitudinal Dependence of Lunar Regolith Properties Using LRO/Diviner Data and a Microphysical Thermal Model}, volume = {55}, booktitle = {Bulletin of the AAS}, number = {8}, year = {2023}, abstract = {Regolith is formed through weathering of the local rock by meteorite bombardment, space weathering (Pieters \& Noble, 2016) and thermal erosion (Delbo et al., 2014). In the case of the Moon, the space weathering effects and diurnal temperature variations are reduced towards the poles. The aim of this study is to investigate whether the lunar regolith properties derived from the comparison of regolith temperatures measured by the Diviner radiometer (Paige et al., 2010) on board the Lunar Reconnaissance Orbiter (LRO) with simulated temperatures derived from a microphysical thermal model show a latitudinal dependence. The developed microphysical thermal model expands upon previous models by more directly simulating regolith properties, such as grain radius and volume filling factor.}, language = {en} } @article{HoangGarnierLasueetal.2020, author = {Hoang, Margaux and Garnier, Philippe and Lasue, Jeremie and R{\`e}me, Henri and Capria, Maria Teresa and Altwegg, Kathrin and L{\"a}uter, Matthias and Kramer, Tobias and Rubin, Martin}, title = {Investigating the Rosetta/RTOF observations of comet 67P/Churyumov-Gerasimenko using a comet nucleus model: Influence of dust mantle and trapped CO}, volume = {638}, journal = {Astronomy \& Astrophysics}, doi = {10.1051/0004-6361/201936655}, pages = {A106}, year = {2020}, abstract = {Context. Cometary outgassing is induced by the sublimation of ices and the ejection of dust originating from the nucleus. Therefore measuring the composition and dynamics of the cometary gas provides information concerning the interior composition of the body. Nevertheless, the bulk composition differs from the coma composition, and numerical models are required to simulate the main physical processes induced by the illumination of the icy body. Aims. The objectives of this study are to bring new constraints on the interior composition of the nucleus of comet 67P/Churyumov-Gerasimenko (hereafter 67P) by comparing the results of a thermophysical model applied to the nucleus of 67P and the coma measurements made by the Reflectron-type Time-Of-Flight (RTOF) mass spectrometer. This last is one of the three instruments of the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA), used during the Rosetta mission. Methods. Using a thermophysical model of the comet nucleus, we studied the evolution of the stratigraphy (position of the sublimation and crystallisation fronts), the temperature of the surface and subsurface, and the dynamics and spatial distribution of the volatiles (H2O, CO2 and CO). We compared them with the in situ measurements from ROSINA/RTOF and an inverse coma model. Results. We observed the evolution of the surface and near surface temperature, and the deepening of sublimation fronts. The thickness of the dust layer covering the surface strongly influences the H2O outgassing but not the more volatiles species. The CO outgassing is highly sensitive to the initial CO/H2O ratio, as well as to the presence of trapped CO in the amorphous ice. Conclusions. The study of the influence of the initial parameters on the computed volatile fluxes and the comparison with ROSINA/RTOF measurements provide a range of values for an initial dust mantle thickness and a range of values for the volatile ratio. These imply the presence of trapped CO. Nevertheless, further studies are required to reproduce the strong change of behaviour observed in RTOF measurements between September 2014 and February 2015.}, language = {en} } @inproceedings{BuergerGundlachBlumetal.2022, author = {B{\"u}rger, Johanna and Gundlach, Bastian and Blum, J{\"u}rgen and Hayne, Paul and L{\"a}uter, Matthias and Kramer, Tobias}, title = {Lunar regolith properties derived from LRO/Diviner data and thermophysical modelling}, booktitle = {Europlanet Science Congress}, doi = {10.5194/epsc2022-92}, pages = {EPSC2022-92}, year = {2022}, abstract = {The Moon as our nearest celestial object is one of the most important bodies for space resource exploration and planetary science. However, knowledge of the physical properties of the lunar regolith is required for the exploitation of lunar resources and for understanding the Moon's geologic history. This knowledge comes mainly from Apollo in-situ experiments and returned samples, but the global distribution of these properties is still poorly understood. Remote sensing measurements offer the opportunity to derive properties of unsampled areas with the help of models. In our study, a microphysical thermal model for the lunar regolith was developed and the simulated surface temperatures were compared with thermal emission measurements from the Diviner radiometer on board the Lunar Reconnaissance Orbiter (LRO) to derive regolith properties. This work expands upon previous investigations of lunar regolith properties using Diviner data, by more directly simulating physical properties such as particle size and porosity.}, language = {en} } @article{RodriguezKramer2019, author = {Rodr{\´i}guez, Mirta and Kramer, Tobias}, title = {Machine Learning of Two-Dimensional Spectroscopic Data}, volume = {520}, journal = {Chemical Physics}, arxiv = {http://arxiv.org/abs/1810.01124}, doi = {10.1016/j.chemphys.2019.01.002}, pages = {52 -- 60}, year = {2019}, abstract = {Two-dimensional electronic spectroscopy has become one of the main experimental tools for analyzing the dynamics of excitonic energy transfer in large molecular complexes. Simplified theoretical models are usually employed to extract model parameters from the experimental spectral data. Here we show that computationally expensive but exact theoretical methods encoded into a neural network can be used to extract model parameters and infer structural information such as dipole orientation from two dimensional electronic spectra (2DES) or reversely, to produce 2DES from model parameters. We propose to use machine learning as a tool to predict unknown parameters in the models underlying recorded spectra and as a way to encode computationally expensive numerical methods into efficient prediction tools. We showcase the use of a trained neural network to efficiently compute disordered averaged spectra and demonstrate that disorder averaging has non-trivial effects for polarization controlled 2DES.}, language = {en} } @inproceedings{KramerLaeuter2021, author = {Kramer, Tobias and L{\"a}uter, Matthias}, title = {Matching the activity of comet 67P/Churyumov-Gerasimenko with long-term ground-based astrometry}, volume = {15}, booktitle = {Europlanet Science Congress}, publisher = {Europlanet Science Congress}, doi = {10.5194/epsc2021-337}, pages = {EPSC2021-337}, year = {2021}, abstract = {50 years of astrometric data for comet 67P/C-G (orbital period about 6.45 years) provides a unique opportunity to benchmark non-gravitational acceleration models to the in situ measurements of the volatile release performed from the Rosetta rendezvous mission (2014-2016). Taken together, the Earth-bound and in-situ data yields lower fit errors and serves as a test-case for our ability to deduce thermophysical quantities of cometary nuclei from the Earth-bound observations.}, language = {en} } @article{KramerRodriguezZelinskyi2017, author = {Kramer, Tobias and Rodriguez, Mirta and Zelinskyi, Yaroslav}, title = {Modeling of Transient Absorption Spectra in Exciton Charge-Transfer Systems}, volume = {121}, journal = {Journal of Physical Chemistry B}, arxiv = {http://arxiv.org/abs/1811.10683}, doi = {10.1021/acs.jpcb.6b09858}, pages = {463 -- 470}, year = {2017}, abstract = {Time-resolved spectroscopy provides the main tool for analyzing the dynamics of excitonic energy transfer in light-harvesting complexes. To infer time-scales and effective coupling parameters from experimental data requires to develop numerical exact theoretical models. The finite duration of the laser-molecule interactions and the reorganization process during the exciton migration affect the location and strength of spectroscopic signals. We show that the non-perturbative hierarchical equations of motion (HEOM) method captures these processes in a model exciton system, including the charge transfer state.}, language = {en} } @inproceedings{KramerLaeuter2018, author = {Kramer, Tobias and L{\"a}uter, Matthias}, title = {Modelling the inner coma of comet 67P/Churyumov-Gerasimenko}, volume = {12}, booktitle = {Europlanet Science Congress}, publisher = {Europlanet Science Congress}, pages = {EPSC2018-115-1}, year = {2018}, abstract = {Based on about 1 million of pressure measurements around comet 67P/Churyumov-Gerasimenko we reconstruct the gas emission across the entire nucleus. Dust particles are seeded in the gas model and the resulting dust distribution follows a daily pattern which agrees with observations if a uniform dust release across the entire sunlit surface is assumed.}, language = {en} } @inproceedings{LaeuterKramer2023, author = {L{\"a}uter, Matthias and Kramer, Tobias}, title = {Non-gravitational acceleration and torque on comet 67P/Churyumov-Gerasimenko}, volume = {55}, booktitle = {Bulletin of the AAS}, number = {8}, year = {2023}, abstract = {From August 2014 to September 2016, the ESA operated the Rosetta spacecraft mission alongside with comet 67P/Churyumov-Gerasimenko (67P). The mission provided valuable long-term data on the comet's nucleus, including its volume, mass, tensor of inertia, spatial position of the orbital trajectory, and rotational state.}, language = {en} } @inproceedings{KramerLaeuter2020, author = {Kramer, Tobias and L{\"a}uter, Matthias}, title = {Non-gravitational force model vs observation: the trajectory and rotation-axis of comet 67P/Churyumov-Gerasimenko}, volume = {14}, booktitle = {Europlanet Science Congress}, publisher = {Europlanet Science Congress}, doi = {10.5194/epsc2020-403}, pages = {EPSC2020-403}, year = {2020}, abstract = {The determination of non-gravitational forces based on precise astrometry is one of the main tools to establish the cometary character of interstellar and solar-system objects. The Rosetta mission to comet 67P/C-G provided the unique opportunity to benchmark Earth-bound estimates of non-gravitational forces with in-situ data. We determine the accuracy of the standard Marsden and Sekanina parametrization of non-gravitational forces with respect to the observed dynamics. Additionally we analyse the rotation-axis changes (orientation and period) of 67P/C-G. This comparison provides a reference case for future cometary missions and sublimation models for non-gravitational forces.}, language = {en} } @article{KramerNoack2016, author = {Kramer, Tobias and Noack, Matthias}, title = {On the origin of inner coma structures observed by Rosetta during a diurnal rotation of comet 67P/Churyumov-Gerasimenko}, volume = {823}, journal = {The Astrophysical Journal Letters}, number = {1}, doi = {10.3847/2041-8205/823/1/L11}, pages = {L11}, year = {2016}, abstract = {The Rosetta probe around comet 67P/Churyumov-Gerasimenko (67P) reveals an anisotropic dust distribution of the inner coma with jet-like structures. The physical processes leading to jet formation are under debate, with most models for cometary activity focusing on localized emission sources, such as cliffs or terraced regions. Here we suggest, by correlating high-resolution simulations of the dust environment around 67P with observations, that the anisotropy and the background dust density of 67P originate from dust released across the entire sunlit surface of the nucleus rather than from few isolated sources. We trace back trajectories from coma regions with high local dust density in space to the non-spherical nucleus and identify two mechanisms of jet formation: areas with local concavity in either two dimensions or only one. Pits and craters are examples of the first case; the neck region of the bi-lobed nucleus of 67P is an example of the latter case. The conjunction of multiple sources, in addition to dust released from all other sunlit areas, results in a high correlation coefficient (~0.8) of the predictions with observations during a complete diurnal rotation period of 67P.}, language = {en} } @misc{KramerNoack2016, author = {Kramer, Tobias and Noack, Matthias}, title = {On the origin of inner coma structures observed by Rosetta during a diurnal rotation of comet 67P/Churyumov-Gerasimenko.}, issn = {1438-0064}, doi = {10.3847/2041-8205/823/1/L11}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-59225}, year = {2016}, abstract = {The Rosetta probe around comet 67P/Churyumov-Gerasimenko (67P) reveals an anisotropic dust distribution of the inner coma with jet-like structures. The physical processes leading to jet formation are under debate, with most models for cometary activity focusing on localised emission sources, such as cliffs or terraced regions. Here we suggest, by correlating high-resolution simulations of the dust environment around 67P with observations, that the anisotropy and the background dust density of 67P originate from dust released across the entire sunlit surface of the nucleus rather than from few isolated sources. We trace back trajectories from coma regions with high local dust density in space to the non-spherical nucleus and identify two mechanisms of jet formation: areas with local concavity in either two dimensions or only one. Pits and craters are examples of the first case, the neck region of the bilobed nucleus of 67P for the latter one. The conjunction of multiple sources in addition to dust released from all other sunlit areas results in a high correlation coefficient (∼0.8) of the predictions with observations during a complete diurnal rotation period of 67P.}, language = {en} } @article{KramerLaeuter2019, author = {Kramer, Tobias and L{\"a}uter, Matthias}, title = {Outgassing induced acceleration of comet 67P/Churyumov-Gerasimenko}, volume = {630}, journal = {Astronomy \& Astrophysics}, arxiv = {http://arxiv.org/abs/1902.02701}, doi = {10.1051/0004-6361/201935229}, pages = {A4}, year = {2019}, abstract = {Cometary activity affects the orbital motion and rotation state due to sublimation induced forces. The availability of precise rotation-axis orientation and position data from the Rosetta mission allows one to accurately determine the outgassing of comet Churyumov-Gerasimenko/67P (67P). We derive the observed non-gravitational acceleration of 67P directly from the Rosetta spacecraft trajectory. From the non-gravitational acceleration we recover the diurnal outgassing variations and study a possible delay of the sublimation response with respect to the peak solar illumination. This allows us to compare the non-gravitational acceleration of 67P with expectations based on empirical models and common assumptions about the sublimation process. We use an iterative orbit refinement and Fourier decomposition of the diurnal activity to derive the outgassing induced non-gravitational acceleration. The uncertainties of the data reduction are established by a sensitivity analysis of an ensemble of best-fit orbits for comet 67P. We find that the Marsden non-gravitational acceleration parameters reproduce part of the non-gravitational acceleration but need to be augmented by an analysis of the nucleus geometry and surface illumination to draw conclusions about the sublimation process on the surface. The non-gravitational acceleration follows closely the subsolar latitude (seasonal illumination), with a small lag angle with respect to local noon around perihelion. The observed minor changes of the rotation axis do not favor forced precession models for the non-gravitational acceleration. In contrast to the sublimation induced torques, the non-gravitational acceleration does not put strong constraints on localized active areas on the nucleus. We find a close agreement of the orbit deduced non-gravitational acceleration and the water production independently derived from Rosetta in-situ measurement.}, language = {en} } @article{KramerNoack2015, author = {Kramer, Tobias and Noack, Matthias}, title = {Prevailing Dust-transport Directions on Comet 67P/Churyumov-Gerasimenko}, volume = {813}, journal = {The Astrophysical Journal Letters}, number = {2}, doi = {10.1088/2041-8205/813/2/L33}, pages = {L33}, year = {2015}, abstract = {Dust transport and deposition behind larger boulders on the comet 67P/Churyumov-Gerasimenko (67P/C-G) have been observed by the Rosetta mission. We present a mechanism for dust-transport vectors based on a homogeneous surface activity model incorporating in detail the topography of 67P/C-G. The combination of gravitation, gas drag, and Coriolis force leads to specific dust transfer pathways, which for higher dust velocities fuel the near-nucleus coma. By distributing dust sources homogeneously across the whole cometary surface, we derive a global dust-transport map of 67P/C-G. The transport vectors are in agreement with the reported wind-tail directions in the Philae descent area.}, language = {en} } @article{LaeuterKramer2025, author = {L{\"a}uter, Matthias and Kramer, Tobias}, title = {Rotation dynamics and torque efficiency of cometary nuclei}, volume = {699}, journal = {Astronomy \& Astrophysics}, arxiv = {http://arxiv.org/abs/2507.06036}, doi = {10.1051/0004-6361/202553845}, pages = {A75}, year = {2025}, abstract = {The dynamics of a rigid cometary nucleus is described by the evolutions of its center-of-mass and of its rotation state. Solar irradiation that reaches the surface of a cometary nucleus causes the sublimation of volatiles that form the coma around the nucleus. The sublimation process transfers linear momentum and rotational angular momentum from the nucleus to the surrounding space, and thus affects the dynamics via nongravitational forces and nongravitational torques. With the exception of close approaches to planets, these torques exert the dominant influence on the rotation states of cometary nuclei. The Rosetta mission 2014-2016 accompanying comet 67P/Churyumov-Gerasimenko provides the longest continuous observational data to track its rotation state. In particular, the data set encompasses the direction of the angular velocity, denoted by ω, and the angular frequency |ω|over a time period of approximately 700 days. The observed change of the rotation state is not explained by a low heat conductivity thermophysical model in combination with a homogeneous surface ice coverage of comet 67P. Spatially and/or temporally varying weights for effective active fraction with respect to a prescribed set of surface regions provide a potential solution to this problem. Here, we present a methodology for classifying the surface based on vectorial efficiency of the torque. On any cometary surface without geometric symmetry, the methodology highlights the decomposition into eight characteristic regions that encode the signs of torque efficiency with respect to all vector components. This decomposition is divided into two subsets of four regions each of which is located in one of both hemispheric regions. We analyze in detail rotation states close to lowest energy and different thermophysical models, and we discuss how the uncertainties of observations affect the model parameters. We study the occurrence of these regions for an oblate ellipsoid, a nearprolate ellipsoid, a bilobed shape, and a shape model analogous to that of comet 67P. The sensitivity analysis for comet 67P indicates that the observations constrain only one of the eight weights uniquely. The other directions are poorly constrained and show the limitation of the rotational data to determine the regional activity on comet 67P.}, language = {en} } @article{KramerLaeuterRubinetal.2017, author = {Kramer, Tobias and L{\"a}uter, Matthias and Rubin, Martin and Altwegg, Kathrin}, title = {Seasonal changes of the volatile density in the coma and on the surface of comet 67P/Churyumov-Gerasimenko}, volume = {469}, journal = {Monthly Notices of the Royal Astronomical Society}, arxiv = {http://arxiv.org/abs/1704.03874}, doi = {10.1093/mnras/stx866}, pages = {S20 -- S28}, year = {2017}, abstract = {Starting from several monthly data sets of Rosetta's COmetary Pressure Sensor we reconstruct the gas density in the coma around comet 67P/Churyumov-Gerasimenko. The underlying inverse gas model is constructed by fitting ten thousands of measurements to thousands of potential gas sources distributed across the entire nucleus surface. The ensuing self-consistent solution for the entire coma density and surface activity reproduces the temporal and spatial variations seen in the data for monthly periods with Pearson correlation coefficients of 0.93 and higher. For different seasonal illumination conditions before and after perihelion we observe a systematic shift of gas sources on the nucleus.}, language = {en} } @article{LaeuterKramerRubinetal.2019, author = {L{\"a}uter, Matthias and Kramer, Tobias and Rubin, Martin and Altwegg, Kathrin}, title = {Surface localization of gas sources on comet 67P/Churyumov-Gerasimenko based on DFMS/COPS data}, volume = {483}, journal = {Monthly Notices of the Royal Astronomical Society}, publisher = {Monthly Notices of the Royal Astronomical Society}, arxiv = {http://arxiv.org/abs/1804.06696}, doi = {10.1093/mnras/sty3103}, pages = {852 -- 861}, year = {2019}, abstract = {We reconstruct the temporal evolution of the source distribution for the four major gas species H2O, CO2, CO, and O2 on the surface of comet 67P/Churyumov-Gerasimenko during its 2015 apparition. The analysis applies an inverse coma model and fits to data between August 6th 2014 and September 5th 2016 measured with the Double Focusing Mass Spectrometer (DFMS) of the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) and the COmet Pressure Sensor (COPS). The spatial distribution of gas sources with their temporal variation allows one to construct surface maps for gas emissions and to evaluate integrated productions rates. For all species peak production rates and integrated productions rates per orbit are evaluated separately for the northern and the southern hemisphere. The nine most active emitting areas on the comet's surface are defined and their correlation to emissions for each of the species is discussed.}, language = {en} } @article{LaeuterKramerRubinetal.2020, author = {L{\"a}uter, Matthias and Kramer, Tobias and Rubin, Martin and Altwegg, Kathrin}, title = {The gas production of 14 species from comet 67P/Churyumov-Gerasimenko based on DFMS/COPS data from 2014-2016}, volume = {498}, journal = {Monthly Notices of the Royal Astronomical Society}, number = {3}, publisher = {Monthly Notices of the Royal Astronomical Society}, arxiv = {http://arxiv.org/abs/2006.01750}, doi = {10.1093/mnras/staa2643}, pages = {3995 -- 4004}, year = {2020}, abstract = {The coma of comet 67P/Churyumov-Gerasimenko has been probed by the Rosetta spacecraft and shows a variety of different molecules. The ROSINA COmet Pressure Sensor and the Double Focusing Mass Spectrometer provide in-situ densities for many volatile compounds including the 14 gas species H2O, CO2, CO, H2S, O2, C2H6, CH3OH, H2CO, CH4, NH3, HCN, C2H5OH, OCS, and CS2. We fit the observed densities during the entire comet mission between August 2014 and September 2016 to an inverse coma model. We retrieve surface emissions on a cometary shape with 3996 triangular elements for 50 separated time intervals. For each gas we derive systematic error bounds and report the temporal evolution of the production, peak production, and the time-integrated total production. We discuss the production for the two lobes of the nucleus and for the northern and southern hemispheres. Moreover we provide a comparison of the gas production with the seasonal illumination.}, language = {en} } @article{LaeuterKramerRubinetal.2022, author = {L{\"a}uter, Matthias and Kramer, Tobias and Rubin, Martin and Altwegg, Kathrin}, title = {The ice composition close to the surface of comet 67P/Churyumov-Gerasimenko}, volume = {6}, journal = {ACS Earth and Space Chemistry}, number = {5}, arxiv = {http://arxiv.org/abs/2305.16201}, doi = {10.1021/acsearthspacechem.1c00378}, pages = {1189 -- 1203}, year = {2022}, abstract = {The relation between ice composition in the nucleus of comet 67P/Churyumov-Gerasimenko on the one hand and relative abundances of volatiles in the coma on the other hand is important for the interpretation of density measurements in the environment of the cometary nucleus. For the 2015 apparition, in situ measurements from the two ROSINA (Rosetta Orbiter Spectrometer for Ion and Neutral Analysis) sensors COPS (COmet Pressure Sensor) and DFMS (Double Focusing Mass Spectrometer) determined gas densities at the spacecraft position for the 14 gas species H2O, CO2, CO, H2S, O2, C2H6, CH3OH, H2CO, CH4, NH3, HCN, C2H5OH, OCS, and CS2. We derive the spatial distribution of the gas emissions on the complex shape of the nucleus separately for 50 subintervals of the two-year mission time. The most active patches of gas emission are identified on the surface. We retrieve the relation between solar irradiation and observed emissions from these patches. The emission rates are compared to a minimal thermophysical model to infer the surface active fraction of H2O and CO2. We obtain characteristic differences in the ice composition close to the surface between the two hemispheres with a reduced abundance of CO2 ice on the northern hemisphere (locations with positive latitude). We do not see significant differences for the ice composition on the two lobes of 67P/C-G.}, language = {en} } @inproceedings{KramerLaeuter2022, author = {Kramer, Tobias and L{\"a}uter, Matthias}, title = {The near nucleus gas and dust environment around comet 67P/Churyumov-Gerasimenko}, booktitle = {Europlanet Science Congress}, doi = {10.5194/epsc2022-281}, pages = {EPSC2022-281}, year = {2022}, abstract = {The Rosetta mission to comet 67P/C-G provided a detailed view of the near nucleus environment of an active Jupiter family comet. The continuous monitoring of the gas pressure with the ROSINA experiment at the location of the Rosetta spacecraft in combination with the images of the dust environment acquired by the OSIRIS cameras allows one to test different hypotheses about the origin of the dust and gas emissions. In addition the orbital elements and the rotation axis and spin rate of the nucleus are affected by the gas release.}, language = {en} } @inproceedings{AttreeGutierrezGroussinetal.2024, author = {Attree, Nicholas and Guti{\´e}rrez, Pedro and Groussin, Olivier and B{\"u}rger, Johanna and Keller, Horst Uwe and Kramer, Tobias and Lasagni Manghi, Riccardo and L{\"a}uter, Matthias and Lemos, Pablo and Markkanen, Johannes and Marschall, Raphael and Schuckart, Christian}, title = {The Results of ISSI Team \#547: Understanding the Activity of Comets Through 67P's Dynamics}, volume = {17}, booktitle = {EPSC Abstracts}, doi = {10.5194/epsc2024-82}, year = {2024}, abstract = {Understanding cometary activity gives us an insight into the materials properties, and therefore formation and evolution processes of these relatively pristine protoplanetary objects. We will present the results of an International Space Science Institute project to investigate the phenomenon through the effects of the outgassing activity on the orbit and spin-state of comet 67P/Churymov-Gerasimenko, e.g. its non-gravitational dynamics. This International Team gathered experts in orbital dynamics and trajectory reconstruction together with thermophysical modellers and comet observationalists, in order to compare the available extractions of 67P's non-gravitational acceleration (NGA) from its trajectory. The team then fitted a combination of the NGA, the non-gravitational torque (NGT), and the total water-outgassing rate with a thermophysical activity model. The results of this model will be presented. In particular, it was found that: non-gravitational forces and torques are driven by water sublimation from the nucleus; thermal inertia and self-heating have only minor effects; spatially uniform activity cannot explain 67P's non-gravitational dynamics; spatially uniform momentum transfer cannot explain 67P's non-gravitational dynamics; and different terrain types have different instantaneous responses to insolation. The implications of these findings for the modelling of cometary material and the variety of surface types seen on 67P will be discussed.}, language = {en} } @article{KramerKreisbeckRihaetal.2016, author = {Kramer, Tobias and Kreisbeck, Christoph and Riha, Christian and Chiatti, Olivio and Buchholz, Sven and Wieck, Andreas and Reuter, Dirk and Fischer, Saskia}, title = {Thermal energy and charge currents in multi-terminal nanorings}, volume = {6}, journal = {AIP Advances}, doi = {10.1063/1.4953812}, pages = {065306}, year = {2016}, abstract = {We study in experiment and theory thermal energy and charge transfer close to the quantum limit in a ballistic nanodevice, consisting of multiply connected one-dimensional electron waveguides. The fabricated device is based on an AlGaAs/GaAs heterostructure and is covered by a global top-gate to steer the thermal energy and charge transfer in the presence of a temperature gradient, which is established by a heating current. The estimate of the heat transfer by means of thermal noise measurements shows the device acting as a switch for charge and thermal energy transfer. The wave-packet simulations are based on the multi-terminal Landauer-B{\"u}ttiker approach and confirm the experimental finding of a mode-dependent redistribution of the thermal energy current, if a scatterer breaks the device symmetry.}, language = {en} } @article{GroussinJordaAttreeetal.2025, author = {Groussin, Olivier and Jorda, L. and Attree, N. and Birch, S.P.D. and B{\"u}rger, Johanna and Guti{\´e}rrez, Pedro and Jindal, Abhinav S. and Keller, H.U. and Kramer, Tobias and Lasagni Manghi, Riccardo and L{\"a}uter, Matthias and Markkanen, J. and Marschall, R. and Schuckart, C.}, title = {Thermal environment and erosion of comet 67P/Churyumov-Gerasimenko}, volume = {694}, journal = {Astronomy and Astrophysics}, doi = {10.1051/0004-6361/202452260}, pages = {A21}, year = {2025}, abstract = {Aims. This paper focuses on how insolation affects the nucleus of comet 67P/Churyumov-Gerasimenko over its current orbit. We aim to better understand the thermal environment of the nucleus, in particular its surface temperature variations, erosion, relationship with topography, and how insolation affects the interior temperature for the location of volatile species (H2O and CO2). Methods. We have developed two thermal models to calculate the surface and subsurface temperatures of 67P over its 6.45-year orbit. The first model, with high resolution (300 000 facets), calculates surface temperatures, taking shadows and self-heating into account but ignoring thermal conductivity. The second model, with lower resolution (10 000 facets), includes thermal conductivity to estimate temperatures down to ∼3 m below the surface. Results. The thermal environment of 67P is strongly influenced by its large obliquity (52◦), which causes significant seasonal effects and polar nights. The northern hemisphere is the coldest region, with temperatures of 210-300 K. H2O is found in the first few centimetres, while CO2 is found deeper (∼2 m) except during polar night around perihelion, when CO2 accumulates near the surface. Cliffs erode 3-5 times faster than plains, forming terraces. The equatorial region receives maximum solar energy (8.5×109 J m-2 per orbit), with maximum surface temperatures of 300-350 K. On the plains, H2O is found in the first few centimetres, while CO2 is found deeper (∼2 m) and never accumulates near the surface. In the southern hemisphere, a brief intense perihelion heating raises temperatures to 350-400 K, which is followed by a 5-year polar night when surface temperatures drop to 55 K. Here H2O remains in the first few centimetres, while CO2 accumulates shallowly during polar night, enriching the region. Erosion is maximal in the southern hemisphere and concentrated on the plains, which explains the observed overall flatness of this hemisphere compared to the northern one. Over one orbit, the total energy from self-heating is 17\% of the total energy budget, and 34\% for thermal conduction. Our study contributes to a better understanding of the surface changes observed on 67P.}, language = {en} } @article{KreisbeckKramerMolina2017, author = {Kreisbeck, Christoph and Kramer, Tobias and Molina, Rafael}, title = {Time-dependent wave packet simulations of transport through Aharanov-Bohm rings with an embedded quantum dot}, volume = {29}, journal = {Journal of Physics: Condensed Matter}, number = {15}, doi = {10.1088/1361-648X/aa605d}, pages = {155301}, year = {2017}, abstract = {We have performed time-dependent wave packet simulations of realistic Aharonov-Bohm (AB) devices with a quantum dot embedded in one of the arms of the interferometer. The AB ring can function as a measurement device for the intrinsic transmission phase through the quantum dot, however, care has to be taken in analyzing the influence of scattering processes in the junctions of the interferometer arms. We consider a harmonic quantum dot and show how the Darwin-Fock spectrum emerges as a unique pattern in the interference fringes of the AB oscillations.}, language = {en} } @inproceedings{Kramer2020, author = {Kramer, Tobias}, title = {Transient capture of electrons in magnetic fields, or: comets in the restricted three-body problem}, volume = {1612}, booktitle = {Journal of Physics: Conference Series}, edition = {Symmetries in Science XVIII}, arxiv = {http://arxiv.org/abs/1912.08593}, doi = {10.1088/1742-6596/1612/1/012019}, pages = {012019}, year = {2020}, abstract = {The motion of celestial bodies in astronomy is closely related to the orbits of electrons encircling an atomic nucleus. Bohr and Sommerfeld presented a quantization scheme of the classical orbits to analyze the eigenstates of the hydrogen atom. Here we discuss another close connection of classical trajectories and quantum mechanical states: the transient dynamics of objects around a nucleus. In this setup a comet (or an electron) is trapped for a while in the vicinity of parent object (Jupiter or an atomic nucleus), but eventually escapes after many revolutions around the center of attraction.}, language = {en} } @article{KramerRodriguez2017, author = {Kramer, Tobias and Rodriguez, Mirta}, title = {Two-dimensional electronic spectra of the photosynthetic apparatus of green sulfur bacteria}, volume = {7}, journal = {Scientific Reports}, doi = {10.1038/srep45245}, pages = {45245}, year = {2017}, abstract = {Advances in time resolved spectroscopy have provided new insight into the energy transmission in natural photosynthetic complexes. Novel theoretical tools and models are being developed in order to explain the experimental results. We provide a model calculation for the two-dimensional electronic spectra of Cholorobaculum tepidum which correctly describes the main features and transfer time scales found in recent experiments. From our calculation one can infer the coupling of the antenna chlorosome with the environment and the coupling between the chlorosome and the Fenna-Matthews-Olson complex. We show that environment assisted transport between the subunits is the required mechanism to reproduce the experimental two-dimensional electronic spectra.}, language = {en} } @article{AttreeGutierrezGroussinetal.2024, author = {Attree, Nicholas and Guti{\´e}rrez, Pedro and Groussin, Olivier and B{\"u}rger, Johanna and Keller, Horst Uwe and Kramer, Tobias and LASAGNI MANGHI, RICCARDO and L{\"a}uter, Matthias and Lemos, Pablo and Markkanen, Johannes and Marschall, Raphael and Schuckart, Christian}, title = {Varying water activity and momentum transfer on comet 67P/Churyumov-Gerasimenko from its non-gravitational forces and torques}, volume = {690}, journal = {Astronomy and Astrophysics}, arxiv = {http://arxiv.org/abs/2408.10877}, doi = {10.1051/0004-6361/202450728}, pages = {A82}, year = {2024}, abstract = {Aims. We investigate the ability of a simultaneous fitting of comet 67P/Churyumov-Gerasimenko's non-gravitational forces, torques, and total water-outgassing rate, as observed by Rosetta, to constrain complex thermophysical models of cometary material. Methods. We extend the previous work of fitting geographically defined surface outgassing models to the Rosetta observations by testing the effects of a more detailed geomorphological mapping, the resolution of the shape-model used, self-heating by neighbouring facets on the shape-model, thermal inertia in the outgassing solution, and the variation in the momentum coupling between the gas and the nucleus. We also directly compare the non-gravitational acceleration curves available in the literature. Results. We correct an error in the calculation of pole-orientation in the previous paper. We find that, under the assumptions of the model, non-gravitational forces and torques are driven by water sublimation from the nucleus, thermal inertia and self-heating have only minor effects, spatially uniform activity cannot explain 67P's non-gravitational dynamics, spatially uniform momentum transfer cannot explain 67P's non-gravitational dynamics, and different terrain types have different instantaneous responses to insolation. Conclusions. Consolidated terrain facing south on 67P/Churyumov-Gerasimenko has a high outgassing flux, a steep response to insolation, and a large gas momentum transfer coefficient. Instead, that facing north behaves differently, producing little to no water outgassing, and with a lower momentum transfer efficiency. Dusty terrain also has a lower outgassing rate and momentum transfer efficiency, and either depletes its volatile component or is buried in fall-back as the comet approaches the Sun. Momentum transfer appears correlated with insolation, likely due to an increased enhancement in the gas temperature as the dust it flows through is heated.}, language = {en} }