TY - GEN A1 - Tunga, Burcu A1 - Weber, Marcus T1 - Free Energy Calculation Using Mayer Cluster Expansion and Fluctuation Free Integration N2 - This work aims to develop a new algorithm to calculate the free energy of water molecules by using a deterministic way. For this purpose, we assume a closed system confined to a physical volume, having water molecules in gas phase. To calculate the free energy of this sytem we utilized Mayer cluster expansion and the fluctuation free integration method. T3 - ZIB-Report - 12-35 Y1 - 2012 UR - https://opus4.kobv.de/opus4-zib/frontdoor/index/index/docId/1603 UR - https://nbn-resolving.org/urn:nbn:de:0297-zib-16031 SN - 1438-0064 ER -