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Fundamental studies of statistical thermodynamics. We are developing the Nested Sampling / Energy Partitioning scheme to find the density of states, equation of state and phase transition properties automatically from an intermolecular potential. A new method for calculating virial coefficients of high order has been found, with much more favourable scaling properties and much simpler to implement than previous methods.
Fundamental studies of statistical thermodynamics. We are developing the Nested Sampling / Energy Partitioning scheme to find the density of states, equation of state and phase transition properties automatically from an intermolecular potential. A new method for calculating virial coefficients of high order has been found, with much more favourable scaling properties and much simpler to implement than previous methods.
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论文共 106 篇作者统计合作学者相似作者
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JOURNAL OF CHEMICAL AND ENGINEERING DATAno. 12 (2023): 3257-3264
Journal of chemical theory and computationno. 13 (2023): 4322-4333
Shukri Musse,Richard J. Wheatley
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