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Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids

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Heidari,  Maziar
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Kremer,  Kurt
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Cortes-Huerto,  Robinson
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Potestio,  Raffaello
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Heidari, M., Kremer, K., Cortes-Huerto, R., & Potestio, R. (2018). Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids. Journal of Chemical Theory and Computation, 14(7), 3409-3417. doi:10.1021/acs.jctc.8b00002.


Cite as: https://hdl.handle.net/21.11116/0000-0001-DDD6-5
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