Username:
Mueser

Title:
Prof. Dr.

First Name:
Martin

Last Name:
Müser

Published Name:
Martin H. Müser

OpenKIM User ID:
7d355bba-3d15-4a41-8f97-64a1edf9e8e0



Institution:
Saarland University

Department:
Dept. of Materials Science and Engineering

Country:
DE

Website:
https://www.lmp.uni-saarland.de

Biography:


Description of Work:
charge-transfer potentials including those describing redox reactions, generalizations of embedded-atom potentials

Bibliography
S. V. Sukhomlinov and M. H. Müser, Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state, J. Chem. Phys. 143, 224101 (2015). http://scitation.aip.org/content/aip/journal/jcp/143/22/10.1063/1.4936575 

Jari Jalkanen and Martin H. Müser, Systematic analysis and modification of embedded-atom potentials: Case study of copper, Model. Simul. Mater. Sc. Eng. 23, 074001 (2015). http://dx.doi.org/10.1088/0965-0393/23/7/074001 

W. B. Dapp and M. H. Müser, Redox reactions with empirical potentials: Atomistic battery discharge simulations, 
J. Chem. Phys. 139, 064106 (2013). http://dx.doi.org/10.1063/1.4817772 

L. T. Kong, C. Denniston, M. H. Müser, and Y. Qi, Non-bonded force field for the interaction between metals and organic molecules: A case study of olefins on aluminum, Phys. Chem. Chem. Phys. 11, 10195-10203 (2009). http://dx.doi.org/10.1039/B906874K


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