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Multithermal-multibaric molecular simulations from a variational principle
We present a method for performing multithermal-multibaric molecular dynamics simulations that sample entire regions of the temperature-pressure (TP) phase diagram. The method... -
Multithermal-multibaric molecular simulations from a variational principle
We present a method for performing multithermal-multibaric molecular dynamics simulations that sample entire regions of the temperature-pressure (TP) phase diagram. The method... -
Multithermal-multibaric molecular simulations from a variational principle
We present a method for performing multithermal-multibaric molecular dynamics simulations that sample entire regions of the temperature-pressure (TP) phase diagram. The method... -
Calculation of phase diagrams in the multithermal-multibaric ensemble
From the Ising model and the Lennard-Jones fluid to water and the iron-carbon system, phase diagrams are an indispensable tool to understand phase equilibria. Despite the effort...
