Multipolar Force Fields for Atomistic Simulations

Kiingelbergstr. 80, CH4056, Switzerland Department of Chemistry, University of Basel, 

Many-Body Effects and Electrostatics in Biomoiecules Edited by Qjang Cui, Markus Meuwly, and Pengyu Ren Copyright (c) 2016 Pan Stanford Publishing Pte. Ltd. 

The present section introduces MTP electrostatics in the context of molecular simulations. It first motivates and briefly describes the derivation of MTPs and their link to symmetries in the system s 

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Markus Meuwly is professor of physical and computational chemistry at the Department of Chemistry of the University of Basel and adjunct research professor at Brown University, USA. He is interested in developing computational/theoretical methods for quantitative atomistic simulations, specifically multipolar force fields and reactive processes in complex systems. 

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