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Parrinello

Showing results (61-70 of 1,136) with videos related to

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Physical Review Letters|December 16, 1996
Ionic Diffusion in a Ternary Superionic Conductor: An Ab Initio Molecular Dynamics StudyWengert, Nesper, Andreoni, et al.
Physical Review Letters|January 30, 1989
Structural and electronic properties of amorphous carbonGalli, Martin, Car, et al.
Physical Review Letters|August 28, 1989
Carbon: The nature of the liquid stateGalli, Martin, Car, et al.
Physical Review Letters|December 5, 1994
Nature of the conduction states in the metallic molecular crystal Li(NH3)4Kohanoff, Buda, Parrinello, et al.
Physical Review Letters|September 13, 2014
Variational approach to enhanced sampling and free energy calculationsOmar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation|May 26, 2022
Exploration vs Convergence Speed in Adaptive-Bias Enhanced SamplingMichele Invernizzi, Michele Parrinello
Physical Review. B, Condensed Matter|March 15, 1989
Conjugate gradient minimization of the energy functional: A new method for electronic structure calculationStich, Car, Parrinello, et al.
Physical Review. B, Condensed Matter|September 15, 1991
Structure of hydrogenated amorphous silicon from ab initio molecular dynamicsBuda, Chiarotti, Car, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 7, 2001
Medium effects on 51V NMR chemical shifts: a density functional studyM Bühl, M Parrinello
Physical Review Letters|September 28, 2010
Enhanced sampling in the well-tempered ensembleM Bonomi, M Parrinello
Pageof 114

Showing results (61-70 of 1,136) with videos related to

Sort By:
Pageof 114
Physical Review Letters|December 16, 1996
Ionic Diffusion in a Ternary Superionic Conductor: An Ab Initio Molecular Dynamics StudyWengert, Nesper, Andreoni, et al.
Physical Review Letters|January 30, 1989
Structural and electronic properties of amorphous carbonGalli, Martin, Car, et al.
Physical Review Letters|August 28, 1989
Carbon: The nature of the liquid stateGalli, Martin, Car, et al.
Physical Review Letters|December 5, 1994
Nature of the conduction states in the metallic molecular crystal Li(NH3)4Kohanoff, Buda, Parrinello, et al.
Physical Review Letters|September 13, 2014
Variational approach to enhanced sampling and free energy calculationsOmar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation|May 26, 2022
Exploration vs Convergence Speed in Adaptive-Bias Enhanced SamplingMichele Invernizzi, Michele Parrinello
Physical Review. B, Condensed Matter|March 15, 1989
Conjugate gradient minimization of the energy functional: A new method for electronic structure calculationStich, Car, Parrinello, et al.
Physical Review. B, Condensed Matter|September 15, 1991
Structure of hydrogenated amorphous silicon from ab initio molecular dynamicsBuda, Chiarotti, Car, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 7, 2001
Medium effects on 51V NMR chemical shifts: a density functional studyM Bühl, M Parrinello
Physical Review Letters|September 28, 2010
Enhanced sampling in the well-tempered ensembleM Bonomi, M Parrinello
Pageof 114