Polymorphic transitions in single crystals: A new molecular dynamics method
1981 · Journal of Applied Physics · 20K citations
https://doi.org/10.1063/1.328693
M
Michele Parrinello
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Michele Parrinello is an academic researcher from University of Richmond. The author has contributed to research in topics: Spectroscopy and Quantum Chemical Studies & Advanced Chemical Physics Studies & Protein Structure and Dynamics. The author has an h-index of 155, co-authored 783 publications.
ORCID: 0000-0001-6550-3272Papers by this author
worksCanonical sampling through velocity rescaling
2007 · The Journal of Chemical Physics · 17K citations
https://doi.org/10.1063/1.2408420
Unified Approach for Molecular Dynamics and Density-Functional Theory
1985 · Physical Review Letters · 11K citations
https://doi.org/10.1103/physrevlett.55.2471
Escaping free-energy minima
2002 · Proceedings of the National Academy of Sciences · 5,573 citations
https://doi.org/10.1073/pnas.202427399
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
2005 · Computer Physics Communications · 5,572 citations
https://doi.org/10.1016/j.cpc.2004.12.014
Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
2007 · Physical Review Letters · 4,776 citations
https://doi.org/10.1103/physrevlett.98.146401
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