Grand canonical adaptive resolution simulation for molecules with electrons: a theoretical framework based on physical consistency

DOI10.1016/J.CPC.2017.09.020arXiv1709.08452MaRDI QIDQ6155734

Luigi Delle Site

Publication date: 7 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1709.08452

zbMATH Keywords

classical environmentadaptive resolution simulationgrand canonical methodmolecules with electrons

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Related Items (1)

Liouville-type equations for the n-particle distribution functions of an open system

Cites Work

• Molecular systems with open boundaries: theory and simulation
• Nonequilibrium Statistical Mechanics of Open Systems
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