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i-PI 2.0: A universal force engine for advanced molecular simulations

2018373 citationsJournal Articlebronze Open Access

Authors

Venkat Kapil · École Polytechnique Fédérale de Lausanne

Mariana Rossi · Fritz Haber Institute of the Max Planck Society

Ondřej Maršálek · Charles University

Riccardo Petraglia · École Polytechnique Fédérale de Lausanne

Yair Litman · Fritz Haber Institute of the Max Planck Society

Thomas Spura · Paderborn University

Topics & Keywords

Advanced Chemical Physics Studies Quantum, superfluid, helium dynamics Spectroscopy and Quantum Chemical Studies

UN Sustainable Development Goals

Affordable and clean energy

Publication Details

Published in: Computer Physics Communications

Volume 236, pp. 214-223

DOI: 10.1016/j.cpc.2018.09.020

Field-Weighted Citation Impact: 20.27

i-PI 2.0: A universal force engine for advanced molecular simulations | Researchclopedia

· École Polytechnique Fédérale de Lausanne

Alice Cuzzocrea · École Polytechnique Fédérale de Lausanne

Robert H. Meißner · École Polytechnique Fédérale de Lausanne

David M. Wilkins · École Polytechnique Fédérale de Lausanne

Benjamin A. Helfrecht · École Polytechnique Fédérale de Lausanne

Przemysław Juda · École Polytechnique Fédérale de Lausanne

Sébastien P. Bienvenue · École Polytechnique Fédérale de Lausanne

Wei Fang · ETH Zurich

Jan Henning Keßler · Paderborn University

Igor Poltavsky · University of Luxembourg

Steven Vandenbrande · Ghent University

Jelle Wieme · Ghent University

Clémence Corminbœuf · École Polytechnique Fédérale de Lausanne

Thomas D. Kühne · Paderborn University

David E. Manolopoulos · University of Oxford

Thomas E. Markland · Stanford University

Jeremy O. Richardson · ETH Zurich

Alexandre Tkatchenko · University of Luxembourg

Gareth A. Tribello · Queen's University Belfast

Véronique Van Speybroeck · Ghent University

Michele Ceriotti · Ghent University