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The top documents tagged [atomistic simulations]
Computational Science for Energy Wanda Andreoni Centre de Calcul Atomique et Moleculaire (CECAM) Ecole Polytechnique Federale – Lausanne
217 views
Hierarchical Modeling of Biomolecular Systems: From Microscopic to Macroscopic Simulations VAGELIS HARMANDARIS Department of Applied Mathematics University
221 views
Atomistic Simulations Ju Li, Libor Kovarik. 8 nm Mishin, Acta Mater. 52 (2004) 1451 Ardell & Ozolins, Nature Mater. 4 (2005) 309
218 views
«What I cannot compute, I do not understand.» (adapted from Richard P. Feynman) Achievements and challenges running GPU-accelerated Quantum ESPRESSO on
230 views
Boundary
10 views
J. L. Bassani and V. Racherla Mechanical Engineering and Applied Mechanics
21 views
Proteins in Bionanotechnology Computational Studies Andrew Hung, Oliver Beckstein, Robert D’Rozario, Sylvanna S.W. Ho and Mark S.P. Sansom Laboratory of
216 views
Towards Materials Ageing A Case Study in Navigating Energy Landscapes Sidney Yip
34 views
Achievements and challenges running GPU-accelerated Quantum ESPRESSO on heterogeneous clusters
40 views
1st Summer School in Theoretical and Computational Chemistry of Catalonia July 25-29, 2007 Directors: Feliu Maseras and Pere Alemany
224 views
Correlations
2 views
Key Accomplishments:
57 views
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