Concepedia

Author

Thomas Dufils

Centre National de la Recherche ScientifiqueORCID

Also Known As

Dufils, Thomas, T. Dufils, Thomas Dufils

22

Publications

416

Citations

10

H-Index

28

Concepts

All Affiliations

Centre National de la Recherche ScientifiqueSorbonne UniversitéLaboratoire de Physique Théorique de la Matière CondenséePHENIX laboratoryUniversity of Cambridge
TD

About

Thomas Dufils is an author at Centre National de la Recherche Scientifique specializing in molecular dynamics, engineering, and chemistry.

Top Concepts

#ConceptH-IndexPublicationsCitations

1

Engineering

7

7

320

2

Chemistry

6

6

299

3

Natural Sciences

5

5

207

4

Applied Physics

2

2

112

5

Chemical Engineering

2

2

129

Thomas Dufils

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10

Publications

408

Citations

10

H-Index

YearCitations

MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems

A. Marin-Laflèche, Matthieu Haefelé, Laura Scalfi,

The Journal of Open Source Software

2020

117

Simulating Electrochemical Systems by Combining the Finite Field Method with a Constant Potential Electrode

Thomas Dufils, Guillaume Jeanmairet, Benjamin Rotenberg,

Physical Review Letters

2019

92

Properties of magmatic liquids by molecular dynamics simulation: The example of a MORB melt

Thomas Dufils, Nicolas Folliet, B. Mantisi,

Chemical Geology

2016

35

Origin of dielectric polarization suppression in confined water from first principles

Thomas Dufils, Christoph Schran, Ji Chen,

Chemical Science

2023

35

Computational Amperometry of Nanoscale Capacitors in Molecular Simulations

Thomas Dufils, Michiel Sprik, Mathieu Salanne

The Journal of Physical Chemistry Letters

2021

30

A comprehensive molecular dynamics simulation study of hydrous magmatic liquids

Thomas Dufils, Nicolas Sator, B. Guillot

Chemical Geology

2019

23

Reversible Hydration Enabling High-Rate Aqueous Li-Ion Batteries

Leiting Zhang, Franziska Kühling, Agnes-Matilda Mattsson,

ACS Energy Letters

2024

23

Properties of planetary silicate melts by molecular dynamics simulation

Thomas Dufils, Nicolas Sator, B. Guillot

Chemical Geology

2018

21

PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation

Thomas Dufils, Lisanne Knijff, Yunqi Shao,

Journal of Chemical Theory and Computation

2023

20

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

A. Marin-Laflèche, Matthieu Haefelé, Laura Scalfi,

2020

12

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