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The top documents tagged [minimum energy paths]
Documents
Quantum-ESPRESSO: The SCF Loop and Some Relevant Input Parameters Sandro Scandolo ICTP (most slides courtesy of Shobhana Narasimhan)
215 views
Documents
Coordinates and Pathways in MM and QM/MM modeling Haiyan Liu School of Life Sciences, University of Science and Technology of China
214 views
Documents
Bridging scales: Ab initio molecular dynamics and kinetic Monte Carlo simulations
36 views
Documents
Coordinates and Pathways in MM and QM/MM modeling
24 views