OpenKIM Directory of
Interatomic Model Developers

The OpenKIM Directory of Interatomic Model Developers lists researchers engaged in the development of interatomic potentials and force fields. This is a free resource provided by OpenKIM to help researchers engaged in molecular simulation to connect with model developers in order to find interatomic models and to form collaborations.

If you are seeking an interatomic model for a particular system, you can contact individual developers based on the information they provide below, or post on the model developers forum. (For more on the forum, see here.)


Click here to add your name to the Directory.




Prof. Graeme J. Ackland

Physics and Astronomy
University of Edinburgh
Edinburgh, Scotland, United Kingdom

gjackland@ed.ac.uk
https://www2.ph.ed.ac.uk/~gja/potentials.html
OpenKIM User Profile and Repository Contributions: gjackland

Description of Work —


Prof. Dr. Karsten Albe

Fachbereich Material- und Geowissenschaften
Fachgebiet Materialmodellierung
Darmstadt, Hesse, Germany

http://www.mm.mw.tu-darmstadt.de
OpenKIM User Profile and Repository Contributions: albe

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Prof. Michael I. Baskes

Aerospace Engineering
Mississippi State University
Mississippi State, MS, USA

baskes@bagley.msstate.edu
https://www.ae.msstate.edu/people/faculty/michael-baskes
OpenKIM User Profile and Repository Contributions: mbaskes

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Dr. Jörg Behler

Theoretical Chemistry
Universität Göttingen
Göttingen, Germany

joerg.behler@uni-goettingen.de
http://www.theochem.uni-goettingen.de
OpenKIM User Profile and Repository Contributions: joergbehler

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Dr. Giovanni Bonny

Nuclear Materials Science Institute
SCK-CEN
Mol, Belgium

gbonny@sckcen.be
https://orcid.org/0000-0001-6525-6742
https://science.sckcen.be/en/Institutes/NMS/SMA
OpenKIM User Profile and Repository Contributions: gbonny

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Dr. Peter Brommer

Warwick Centre for Predictive Modelling, School of Engineering
University of Warwick
Coventry, United Kingdom

p.brommer@warwick.ac.uk
https://warwick.ac.uk/fac/sci/eng/people/peter_brommer/
OpenKIM User Profile and Repository Contributions: pbro

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Prof. Wei Cai

Mechanical Engineering
Stanford University
Palo Alto, CA, USA

caiwei@stanford.edu
OpenKIM User Profile and Repository Contributions: caiwei

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Dr. Flaviu Cipcigan

IBM Research
United Kingdom

OpenKIM User Profile and Repository Contributions: flaviu-cipcigan

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Dr. Andrew Ian Duff

Scientific Computing Department, Daresbury Laboratory, STFC
London, United Kingdom

andrew.duff@stfc.ac.uk
OpenKIM User Profile and Repository Contributions: AndyDuff

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Prof. Adri C. T. van Duin

Mechanical Engineering
Penn State, Material Computation Center
University Park, PA, USA

acv13@psu.edu
https://www.mri.psu.edu/materials-computation-center
OpenKIM User Profile and Repository Contributions: acv13

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Prof. Paul Erhart

Physics
Chalmers University of Technology
Gothenburg, Sweden

https://www.materialsmodeling.org
OpenKIM User Profile and Repository Contributions: erhart

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Prof. Sakir Erkoc

Physics
Middle East Technical University (METU)
Ankara, Turkey

erkoc@metu.edu.tr
http://erkoc.physics.metu.edu.tr
OpenKIM User Profile and Repository Contributions: erkoc

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Prof. Haidong Fan

Mechanics
Sichuan University
Livermore, China

haidongfan8@foxmail.com
OpenKIM User Profile and Repository Contributions: vanheyto



Mr. David Furman

Chemistry Division
NRCN
Beer-Sheva, Israel

sirok4@gmail.com
OpenKIM User Profile and Repository Contributions: FurmanD

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Dr. Joshua S. Gibson

Carleton University
USA

joshgibson886@gmail.com
OpenKIM User Profile and Repository Contributions: joshgibson886

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Prof. William A. Goddard

chemistry, materials science, applied physics
Caltech
Pasadena, CA, USA

wag@wag.caltech.edu
https://directory.caltech.edu/personnel/wag
OpenKIM User Profile and Repository Contributions: wag

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Prof. Stefan Goedecker

Physics
Uni Basel
Basel, Switzerland

Stefan.Goedecker@unibas.ch
https://comphys.unibas.ch/publications.php
OpenKIM User Profile and Repository Contributions: stefan-goedecker

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OpenKIM User Profile and Repository Contributions: ThomasHammerschmidt

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Dr. Sang Soo Han

Computational Science Research Center
Korea Institute of Science and Technology
Seoul, Korea

sangsoo@kist.re.kr
https://sites.google.com/site/sangsookist/people
OpenKIM User Profile and Repository Contributions: sangsoo

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Prof. Oded Hod

Physical Chemistry
Tel Aviv University
Tel Aviv, Israel

odedhod@tau.ac.il
https://www.tau.ac.il/~odedhod/
OpenKIM User Profile and Repository Contributions: odedhod

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Dr. Sergey Izvekov

Weapons and Materials Research Directorate
U. S. Army Research Laboratory
Aberdeen Proving Ground, MD, USA

sergiy.izvyekov.civ@mail.mil
https://arl.army.mil
OpenKIM User Profile and Repository Contributions: sergiy-izvyekov

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Dr. Hyo-Sun Jang

Computational Materials Science
Korea Institute of Materials Science (KIMS)
Changwon, Gyeongnam, Korea

hsjang@kims.re.kr
https://orcid.org/0000-0002-9713-347X
OpenKIM User Profile and Repository Contributions: hsjang

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Dr. Andres Jaramillo-Botero

Chemistry and Chemical Engineering
California Institute of Technology
Pasadena, CA, USA

ajaramil@wag.caltech.edu
https://directory.caltech.edu/personnel/ajaramil
OpenKIM User Profile and Repository Contributions: ajaramil

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Dr. Jin-Wu Jiang

Shanghai University
China

jwjiang5918@hotmail.com
OpenKIM User Profile and Repository Contributions: jwjiang5918

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Prof. Joao F. Justo

Escola Politecnica
University of Sao Paulo
Sao Paulo, SP, Brazil

jjusto@lme.usp.br
OpenKIM User Profile and Repository Contributions: jjusto

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Andreas Klemenz

Fraunhofer IWM
Freiburg, Germany

andreas.klemenz@iwm.fraunhofer.de
OpenKIM User Profile and Repository Contributions: aklemenz

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Dr. Joel D. Kress

Theoretical Division
Los Alamos National Laboratory
Los Alamos, NM, USA

jdk@lanl.gov
OpenKIM User Profile and Repository Contributions: jdk

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Dr. Tomohisa Kumagai

Materials Science Laboratory
Central Research Institute of Electric Power Industry
Yokosuka-shi, Kanagawa-ken, Japan

kumagai@criepi.denken.or.jp
https://criepi.denken.or.jp
OpenKIM User Profile and Repository Contributions: kumagai

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Dr. Alexander I. Landa

Physical and Life Sciences
Lawrence Livemore National Laboratory
Livermore, CA, USA

https://pls.llnl.gov/people/staff-bios/physics/landa-a
OpenKIM User Profile and Repository Contributions: landa

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Dr. James Larentzos

U.S. Army Research Laboratory
Aberdeen Proving Ground, MD, USA

OpenKIM User Profile and Repository Contributions: jlarentzos

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Prof. Byeong-Joo Lee

Materials Science and Engineering
Pohang University of Science and Technology (POSTECH)
Pohang, Korea

calphad@postech.ac.kr
http://cmse.postech.ac.kr
OpenKIM User Profile and Repository Contributions: calphad

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Dr. Thomas Lenosky

contractor for Lawrence Livermore National Laboratory
Santa Cruz, CA, USA

thomas.lenosky@gmail.com
OpenKIM User Profile and Repository Contributions: thomaslenosky

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Dr. Nigel Marks

Curtin University, Physics Department
Perth, WA, Australia

N.Marks@curtin.edu.au
http://oasisapps.curtin.edu.au/staff/profile/view/N.Marks
OpenKIM User Profile and Repository Contributions: nigelmarks

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Dr. Mikhail I. Mendelev

KBR Wyle Services, LLC
USA

mikhail.mendelev@gmail.com
OpenKIM User Profile and Repository Contributions: mendelev

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Dr. Ronald E. Miller

Mechanical and Aerospace Engineering
Carleton University
Ottawa, ON, Canada

rmiller@mae.carleton.ca
https://carleton.ca/nanomechanics/
OpenKIM User Profile and Repository Contributions: ronmiller

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Prof. Yuri Mishin

Department of Physics and Astronomy
George Mason University
Fairfax, VA, USA

ymishin@gmu.edu
http://physics.gmu.edu/~ymishin/
OpenKIM User Profile and Repository Contributions: ymishin

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Dr. Antonis D Mistriotis

Laboratory of Farm Structures
Agricultural University of Athens
Athens, Greece

amistr@aua.gr
OpenKIM User Profile and Repository Contributions: amistr

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Dr. John A. Moriarty

Condensed Matter Physics
Lawrence Livermore National Laboratory
Livermore, CA, USA

moriarty2@llnl.gov
https://pls.llnl.gov/people/divisions/physics-division/condensed-matter-science-section/eos-and-materials-theory-group
OpenKIM User Profile and Repository Contributions: jamoriarty

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Prof. Dr. Martin H. Müser

Dept. of Materials Science and Engineering
Saarland University
Saarbrücken, Germany

https://www.lmp.uni-saarland.de
OpenKIM User Profile and Repository Contributions: Mueser

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Hoang T. Nguyen

Theoretical and Applied Mechanics
Northwestern University
Evanston, Illinois, USA

OpenKIM User Profile and Repository Contributions: hoangtnguyen



Prof. Kai Nordlund

Department of Physics
University of Helsinki
Helsinki, Finland

kai.nordlund@helsinki.fi
https://orcid.org/0000-0001-6244-1942
http://www.acclab.helsinki.fi/~knordlun/
OpenKIM User Profile and Repository Contributions: kai-nordlund

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Dr. Berk Onat

School of Engineering
University of Warwick
United Kingdom

B.Onat@warwick.ac.uk
https://warwick.ac.uk/fac/sci/wcpm/people/onat
OpenKIM User Profile and Repository Contributions: onatberk

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Dr. Mario Orsi

UWE Bristol
United Kingdom

OpenKIM User Profile and Repository Contributions: morsi

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Dr. Roberto C Pasianot

Gcia. Materiales CAC
Comisión Nacional de Energía Atómica
Buenos Aires, Argentina

pasianot@cnea.gov.ar
OpenKIM User Profile and Repository Contributions: pasianot

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Dr. Lars Pastewka

Department of Microsystems Engineering
University of Freiburg
Freiburg, Baden-Württemberg, Germany

lars.pastewka@imtek.uni-freiburg.de
http://www.imtek.uni-freiburg.de/laboratories/simulation
OpenKIM User Profile and Repository Contributions: pastewka

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Prof. Simon R. Phillpot

Department of Materials Science and Engineering
University of Florida
Gainesville, FL, USA

sphil@mse.ufl.edu
https://phillpot.mse.ufl.edu/
OpenKIM User Profile and Repository Contributions: sphil

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Dr. Ganga P. Purja Pun

Physics and Astronomy
George Mason University
Fairfax, VA, USA

gangapurjapun@gmail.com
OpenKIM User Profile and Repository Contributions: gangapun

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Dr. Matthias Rupp

Theory
Fritz Haber Institute of the Max Planck Society
Berlin, Germany

https://www.mrupp.info
OpenKIM User Profile and Repository Contributions: mrupp

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Prof. Seunghwa Ryu

Mechanical Engineering
KAIST (Korea Advanced Institute of Science and Technology)
Daejeon, Korea

ryush@kaist.ac.kr
https://sites.google.com/site/seunghwalab/
OpenKIM User Profile and Repository Contributions: shryu83



Prof. Jakob Schiøtz

Department of Physics
DTU Physics, Technical University of Denmark
Kongens Lyngby, Denmark

schiotz@fysik.dtu.dk
https://wiki.fysik.dtu.dk/asap
OpenKIM User Profile and Repository Contributions: schiotz

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Dr. Ray Shan

Materials Design, INC; Sandia National Laboratories, University of Florida
USA

rshan@materialsdesign.com
OpenKIM User Profile and Repository Contributions: rshan

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Prof. Howard W. Sheng

Physics
George Mason University
Fairfax, VA, USA

hsheng@gmu.edu
https://sites.google.com/site/eampotentials/
OpenKIM User Profile and Repository Contributions: hsheng

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Prof. Donald Siegel

Mechanical Engineering
University of Michigan
Ann Arbor, MI, USA

http://www.umich.edu/~djsiege
OpenKIM User Profile and Repository Contributions: djsiege

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Prof. Susan B. Sinnott

Materials Science and Engineering
Penn State University
State College, PA, USA

sbs5563@psu.edu
https://research.matse.psu.edu/sinnott/
OpenKIM User Profile and Repository Contributions: ssinn

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Prof. Srinivasan G. Srivilliputhur

Materials Science and Engineering
University of North Texas
Denton, TX, USA

https://materials.engineering.unt.edu/people/srinivasan-srivilliputhur
OpenKIM User Profile and Repository Contributions: srinivasansrivilliputhur

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Dr. Sergey Starikov

Joint Institute for High Temperatures
Moscow, Russian Federation

redshuhart@yandex.ru
OpenKIM User Profile and Repository Contributions: sergeystarikov

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Prof. Alejandro Strachan

Materials Engineering
Purdue University
West Lafayette, IN, USA

strachan@purdue.edu
OpenKIM User Profile and Repository Contributions: strachan

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Dr. Alexander Stukowski

Materials Science
Darmstadt University of Technology
Darmstadt, Germany

stukowski@mm.tu-darmstadt.de
https://www.ovito.org
OpenKIM User Profile and Repository Contributions: stukowski

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Prof. Adrian P. Sutton

Physics
Imperial College London
London, United Kingdom

OpenKIM User Profile and Repository Contributions: asutton

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Prof. Ellad B. Tadmor

Department of Aerospace Engineering and Mechanics
University of Minnesota
Minneapolis, MN, USA

https://orcid.org/0000-0003-3311-6299
https://dept.aem.umn.edu/~tadmor/
OpenKIM User Profile and Repository Contributions: tadmor

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Dr. Aidan P. Thompson

Center for Computing Research
Sandia National Laboratories
Albuquerque, NM, USA

athomps@sandia.gov
https://cs.sandia.gov/~athomps/
OpenKIM User Profile and Repository Contributions: athomps

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Prof. Yoshitaka Umeno

Institute of Industrial Science
The University of Tokyo
Meguro-ku, Tokyo, Japan

umeno@iis.u-tokyo.ac.jp
OpenKIM User Profile and Repository Contributions: Yoshi-Umeno

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Prof. Vaclav Vitek

Materials Science and Engineering
University of Pennsylvania
Philadelphia, PA, USA

vitek@seas.upenn.edu
OpenKIM User Profile and Repository Contributions: vitek

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Prof. Anatole von Lilienfeld

Free University of Brussels and University of Basel
Belgium

OpenKIM User Profile and Repository Contributions: anatole-vonlilienfeld

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Dr. Yanming Wang

Materials Science and Engineering
Massachusetts Institute of Technology
Cambridge, MA, USA

yanmingw@mit.edu
OpenKIM User Profile and Repository Contributions: yanmingw

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Dr. Xiao Hang

Department of Chemical Engineering
Northwest University
Xi'an, Shaanxi, China

xiaohang007@gmail.com
https://orcid.org/0000-0002-0565-6696
https://xiaohang007.github.io/
OpenKIM User Profile and Repository Contributions: xiaohang07

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Xu Zhang

Theoretical and Applied Mechanics
Northwestern University
Evanston, IL, USA

OpenKIM User Profile and Repository Contributions: xu139411



Dr. Xiaowang Zhou

Sandia National Laboratory
USA

xzhou@sandia.gov
https://orcid.org/0000-0001-5489-6509
OpenKIM User Profile and Repository Contributions: xzhou

Description of Work —