Hello. This is Dr Jerome Delhommelle, regional editor for Molecular Simulation. I would like to welcome you to this special issue of Molecular Simulation on ‘Free Energy Simulations’! The aim of this special issue is to gather didactic, yet advanced, papers on ‘Free Energy Simulations’. The papers selected for this special issue discuss the theoretical framework underlying ‘Free Energy Simulations’ and applications of these methods to cutting-edge research in chemistry, biology, physics and mathematics. We are very grateful to Professor Martin Karplus, 2013 Nobel Prize in Chemistry and a pioneer in the field, for writing the preface for this special issue. We are especially thankful for his guidance, his insights and patience through the entire process. We are also very much indebted to Professor Karplus and to all the authors for this exciting and very special issue! We hope that this special issue will serve as a basis for reflection and discussion to all researchers in Molecular Simulation. Finally, I would like to thank the Editor-In-Chief of Molecular Simulation, Dr Nick Quirke, our Production Editor, Marina Debattista and all the staff at Molecular Simulation.
We hope you will enjoy this special issue of Molecular Simulation.
Department of Chemistry, University of North Dakota
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