Dynamical Non-Equilibrium Molecular Dynamics

In this review, we discuss the Dynamical approach to Non-Equilibrium Molecular Dynamics (D-NEMD), which extends stationary NEMD to time-dependent situations, be they responses or relaxations. Based on the original Onsager regression hypothesis, implemented in the nineteen-seventies by Ciccotti, Jacu...

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Bibliographic Details
Main Authors: Giovanni Ciccotti, Mauro Ferrario
Format: Article
Language:English
Published: MDPI AG 2013-12-01
Series:Entropy
Subjects:
Online Access:http://www.mdpi.com/1099-4300/16/1/233