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"Computational material science tools have revolutionized the evaluation of neutron thermal scattering laws.  All of the new thermal scattering laws including in the new US national ENDF/B-VIII.0 nuclear data library were developed using DFT or MD simulations.  The vast majority were developed by MedeA users using VASP, PHONON, and LAMMPS."

-Michael L. Zerkle, Ph.D.

Senior Advisor, Reactor Physics Methods Development, Naval Nuclear Laboratory

Publications

Machine-learned interatomic potentials: Recent developments and prospective applications

2023

Volker Eyert, Jonathan Wormald, William A. Curtin, and Erich Wimmer

Polyvalent machine-learned potential for cobalt: From bulk to nanoparticles

2024

Marthe Bideault, Jérome Creuze, Ryoji Asahi and Erich Wimmer

2018

Blanco-Diaz E.G., Castrejon-Gonzalez E.O., Rico-Ramirez V., Aztatzi-Pluma D., Diaz-Ovalle C.O.

2017

David Reith, Mikael Christensen, Walter Wolf, Volker Eyert, Erich Wimmer, Georg Schmitz, Ralph Altenfeld, Markus Apel, Gottfried Laschet, Bernd Böttger

2017

I I Piyanzina, T Kopp, Yu V Lysogorskiy, D A Tayurskii, and V Eyert

2017

I. I. Piyanzina, Yu. V. Lysogorskiy, I. I. Varlamova, A. G. Kiiamov, T. Kopp, V. Eyert, O. V. Nedopekin, D. A. Tayurskii

2017

Mikael Christensen, Volker Eyert, Arthur France-Lanord, Clive Freeman, Benoît Leblanc, Alexander Mavromaras, Stephen J Mumby, David Reith, David Rigby, Xavier Rozanska, Hannes Schweiger, Tzu-Ray Shan, Philippe Ungerer, René Windiks, Walter Wolf, Marianna Yiannourakou & Erich Wimmer

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