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Valsson, Omar, Parrinello, Michele (2014) Variational Approach to Enhanced Sampling and Free Energy Calculations. Physical Review Letters, 113 (9). doi:10.1103/physrevlett.113.090601

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Reference TypeJournal (article/letter/editorial)
TitleVariational Approach to Enhanced Sampling and Free Energy Calculations
JournalPhysical Review Letters
AuthorsValsson, OmarAuthor
Parrinello, MicheleAuthor
Year2014 (August 27)Volume113
Issue9
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevlett.113.090601Search in ResearchGate
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Mindat Ref. ID10660457Long-form Identifiermindat:1:5:10660457:1
GUID0
Full ReferenceValsson, Omar, Parrinello, Michele (2014) Variational Approach to Enhanced Sampling and Free Energy Calculations. Physical Review Letters, 113 (9). doi:10.1103/physrevlett.113.090601
Plain TextValsson, Omar, Parrinello, Michele (2014) Variational Approach to Enhanced Sampling and Free Energy Calculations. Physical Review Letters, 113 (9). doi:10.1103/physrevlett.113.090601
In(2014, August) Physical Review Letters Vol. 113 (9) American Physical Society (APS)

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McCarty, James, Valsson, Omar, Tiwary, Pratyush, Parrinello, Michele (2015) Variationally Optimized Free-Energy Flooding for Rate Calculation. Physical Review Letters, 115 (7). doi:10.1103/physrevlett.115.070601
Shaffer, Patrick, Valsson, Omar, Parrinello, Michele (2016) Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin. Proceedings of the National Academy of Sciences, 113 (5) 1150-1155 doi:10.1073/pnas.1519712113
Piaggi, Pablo M., Valsson, Omar, Parrinello, Michele (2017) Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations. Physical Review Letters, 119 (1). doi:10.1103/physrevlett.119.015701
Piaggi, Pablo M., Valsson, Omar, Parrinello, Michele (2020) Erratum: Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations [Phys. Rev. Lett. 119 , 015701 (2017)]. Physical Review Letters, 125 (15) doi:10.1103/physrevlett.125.159902
Invernizzi, Michele, Valsson, Omar, Parrinello, Michele (2017) Coarse graining from variationally enhanced sampling applied to the Ginzburg–Landau model. Proceedings of the National Academy of Sciences, 114 (13) 3370-3374 doi:10.1073/pnas.1618455114
Piccini, GiovanniMaria, McCarty, James J., Valsson, Omar, Parrinello, Michele (2017) Variational Flooding Study of a SN2 Reaction. The Journal of Physical Chemistry Letters, 8 (3). 580-583 doi:10.1021/acs.jpclett.6b02852
Bussi, Giovanni, Laio, Alessandro, Parrinello, Michele (2006) Equilibrium Free Energies from Nonequilibrium Metadynamics. Physical Review Letters, 96 (9). doi:10.1103/physrevlett.96.090601
Perego, Claudio, Valsson, Omar, Parrinello, Michele (2018) Chemical potential calculations in non-homogeneous liquids. The Journal of Chemical Physics, 149 (7). 72305pp. doi:10.1063/1.5024631
Barducci, Alessandro, Bussi, Giovanni, Parrinello, Michele (2008) Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method. Physical Review Letters, 100 (2). doi:10.1103/physrevlett.100.020603
Piaggi, Pablo M., Parrinello, Michele (2019) Multithermal-Multibaric Molecular Simulations from a Variational Principle. Physical Review Letters, 122 (5). doi:10.1103/physrevlett.122.050601
Galli, Giulia, Parrinello, Michele (1992) Large scale electronic structure calculations. Physical Review Letters, 69 (24). 3547-3550 doi:10.1103/physrevlett.69.3547
 
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