_________
H, He site occupation and migration barriers

External 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
• 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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