An international, multidisciplinary, academic journal, Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation.

Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics.

The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged.

Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.

All manuscript submissions are subject to initial appraisal by the Editor, and, if found suitable for further consideration, to peer review by independent, anonymous expert referees. All peer review is single anonymized and submission is online via ScholarOne Manuscripts.

Editor in Chief: 

Professor Nick Quirke - Department of Chemistry, Imperial College, Molecular Sciences Research Hub, London, W12 OBZ 

Regional Editors: 

Professor Jerome Delhommelle - Department of Chemistry, University of North Dakota, USA 
Doctor Tim Gould- Department of Science and Environment, Griffith University, Australia 
Professor Yuko Okamoto- Department of Physics, Nagoya University, Japan 
Doctor Robert Rudd- Lawrence Livermore National Laboratory, USA 
Doctor Miguel Jorge - Chemical and Process Engineering, University of Strathclyde, UK 
Professor Wenchuan Wang - College of Chemical Engineering, Beijing University of Chemical Technology, China 

Editorial Board Members: 

Professor Fernando Bresme - Imperial College London, United Kingdom 
Professor Suresh Bhatia - University of Queensland, Australia 
Professor C.R.A. Catlow - The Royal Institution of Great Britain, UK 
Professor Kwong-Yu Chan - University of Hong Kong, Hong Kong 
Professor David F. Coker - Metcalf Center for Science and Engineering, USA 
Professor Daojian Cheng - Beijing University of Chemical Technology, China 
Professor P. Clancy - Cornell University, USA 
Professor Peter T. Cummings - Vanderbilt University, USA 
Professor D.J. Evans - Australian National University, Australia 
Professor K.E. Gubbins - North Carolina State University, USA 
Professor Wilfred F. Van Gunsteren - ETH-Zürich, Switzerland 
Professor Yi He - Zhejiang University, China 
Professor Hendrik Heinz - University of Colorado-Boulder, USA 
Professor Wenbing Hu - Nanjing University, China 
Professor Liangliang Huang - University of Oklahoma, USA 
Doctor Miguel Jorge - University of Strathclyde, UK 
Professor Jun Li - Tsinghua University, China 
Professor Nobuyuki Matsubayasi - Osaka University, Japan 
Professor J. Andrew McCammon - University of California at San Diego, USA 
Doctor Marc Meunier - Materials Science Accerlys, Cambridge, UK 
Doctor R. Pellenq - Massachusetts Institute of Technology, USA 
Professor B. M. Pettitt - University of Houston, USA 
Doctor Lev Sarkisov - University of Edinburgh, UK 
Professor Soong-Hyuck Suh - Keimyung University, South Korea 
Professor Huai Sun- Shanghai Jiao Tong University, China 
Professor M. Tanaka - Tohoku University, Japan 
Professor Dongqing Wei - Shanghai Jiaotong University, China 
Professor Kenji Yasuoka - Keio University, Japan 
Professor Jijun Zhao - Dalian University of Technology, China 
Professor Shuangliang Zhao - East China University of Science and Technology, China