nov
08
2024
By intranet
Resumo:
In this talk we discuss the application of nonequilibrium simulation
methods toward the calculation of free energies of classical systems
in thermal equilibrium using molecular simulation techniques. In
particular, we address close-to-equilibrium processes for which
linear-response theory is adequate and discuss a variety of approaches
that allow the computation of thermodynamic coexistence conditions
between different condensed-matterphases.