Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems-Reference-Cited by-同舟云学术

Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems

Published:2020-05-21 Issue:19 Volume:152 Page:194701
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Coretti A.¹²^ORCID,Scalfi L.³^ORCID,Bacon C.³^ORCID,Rotenberg B.³⁴^ORCID,Vuilleumier R.⁵^ORCID,Ciccotti G.⁶⁷⁸^ORCID,Salanne M.³⁴⁹^ORCID,Bonella S.²^ORCID

Affiliation:

1. Department of Mathematical Sciences, Politecnico di Torino, I-10129 Torino, Italy

2. Centre Européen de Calcul Atomique et Moléculaire (CECAM), Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

3. Sorbonne Université, CNRS, Physicochimie des Électrolytes et Nanosystèmes Interfaciaux, F-75005 Paris, France

4. Réseau sur le Stockage Electrochimique de l’Energie (RS2E), FR CNRS 3459, 80039 Amiens Cedex, France

5. PASTEUR, Département de chimie, École normale supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France

6. Institute for Applied Computing “Mauro Picone” (IAC), CNR, Via dei Taurini 19, 00185 Rome, Italy

7. Università di Roma La Sapienza, Ple. A. Moro 5, 00185 Roma, Italy

8. School of Physics, University College of Dublin UCD-Belfield, Dublin 4, Ireland

9. Université Paris-Saclay, UVSQ, CNRS, CEA, Maison de la Simulation, 91191 Gif-sur-Yvette, France

Funder

Agence Nationale de la Recherche

H2020 European Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0007192

Reference40 articles.

1. Fundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale

2. Ionic Liquids at Electrified Interfaces

3. Building better batteries

4. Materials for electrochemical capacitors

5. Alignment of electronic energy levels at electrochemical interfaces

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