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H, He site occupation and migration barriers in ErH
POC: Peter Schultz
Collaborators
- Carl-Olof Almbladh - Lund University (Sweden) - Time-dependent DFT
- Denis Andrienko - Max-Planck Institute, Coarse-graining and Design of Molecular Electronics
- Rickard Armiento - University of Bayreuth, Germany - DFT Functional Development
- Celine Destandau-Leonard, Universite de Marne la Vallee, Vibrational Spectroscopy
- Arthur Edwards - Air Force Research Laboratory - Radiation Effects in Semiconductors
- Walter H. Gerstle - CE, University of New Mexico - Multi-physics extensions of Peridynamics
- William A. Goddard III - Caltech - Density Functional Theory, Force Fields, Atomistic Multiscale Methods
- Harold Hjalmarson - Sandia National Laboratories, Dept. 1341
- Graeme Henkelman - University of Texas Austin, Catalyst Design
- Igor V. Lomonosov - Institute for Problems of Chemical Physics, Chernogolovka
- Valentina Marcon - Max-Planck Institute
- Genri E. Norman - Joint Institute for High Temperatures, Moscow
- Artem Oganov - ETH Zurich, Molecular Crystal Structure
- Ronald Pease
- Andrew Pineda - University of New Mexico
- Ursula Rothlisberger - EPF Lausanne, QM/MM and Time Dependent DFT
- Daniel Sebastiani - Max-Planck Institute, Pseudopotentials
- Ari P. Seitsonen - CNRS, Surface Chemistry
- Alexander A. Selezenev - All-russian Research Institute of Experimental Physics (VNIIEF) and SarovLabs
- Alejandro Strachan - Purdue University - DFT-based Multiscale Methods
- Alexandre Tkatchenko - Fritz-Haber Institute, DFT Studies of van der Waals Systems
- Mark Tuckerman - NYU, Molecular Grand-canonical Theory
- Claudia Verdozzi - Lund University (Sweden) - Time-dependent DFT
- Ulf von Barth - Lund University (Sweden) - Time-dependent DFT
- John M. Wills - Los Alamos National Laboratory - DFT Functionals and Codes
- Mike Winey - Washington State University
- Thomas B. Woolf - Department of Physiology, School of Medicine, Johns Hopkins University - Biomolecular Simulation
- Koichi Yamashita - University of Tokyo, Molecular design of conducing materials
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