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Roberto Car

Showing results (91-100 of 122) with videos related to

Pageof 13
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Nature|March 11, 2016
Palmer et al. replyJeremy C Palmer, Fausto Martelli, Yang Liu, et al.
ACS Nano|August 8, 2025
Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on Al<sub>2</sub>O<sub>3</sub> SurfacesJiayan Xu, Shreeja Das, Amar Deep Pathak, et al.
Nature|June 20, 2014
Metastable liquid-liquid transition in a molecular model of waterJeremy C Palmer, Fausto Martelli, Yang Liu, et al.
Science Advances|February 13, 2019
Reliable and practical computational description of molecular crystal polymorphsJohannes Hoja, Hsin-Yu Ko, Marcus A Neumann, et al.
Journal of Computer-Aided Molecular Design|August 2, 2005
Protonation-induced stereoisomerism in nicotine: conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamicsPhilip S Hammond, Yudong Wu, Rebecca Harris, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 10, 2011
Oxidation state changes and electron flow in enzymatic catalysis and electrocatalysis through Wannier-function analysisPatrick H-L Sit, Federico Zipoli, Jia Chen, et al.
Nanoscale|September 22, 2018
Root-growth of boron nitride nanotubes: experiments and ab initio simulationsBiswajit Santra, Hsin-Yu Ko, Yao-Wen Yeh, et al.
Physical Review Letters|November 24, 2011
Hydrogen bonds and van der waals forces in ice at ambient and high pressuresBiswajit Santra, Jiří Klimeš, Dario Alfè, et al.
The Journal of Chemical Physics|October 29, 2013
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressuresBiswajit Santra, Jirí Klimes, Alexandre Tkatchenko, et al.
The Journal of Chemical Physics|January 27, 2021
When do short-range atomistic machine-learning models fall short?Shuwen Yue, Maria Carolina Muniz, Marcos F Calegari Andrade, et al.
Pageof 13

Showing results (91-100 of 122) with videos related to

Sort By:
Pageof 13
Nature|March 11, 2016
Palmer et al. replyJeremy C Palmer, Fausto Martelli, Yang Liu, et al.
ACS Nano|August 8, 2025
Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on Al<sub>2</sub>O<sub>3</sub> SurfacesJiayan Xu, Shreeja Das, Amar Deep Pathak, et al.
Nature|June 20, 2014
Metastable liquid-liquid transition in a molecular model of waterJeremy C Palmer, Fausto Martelli, Yang Liu, et al.
Science Advances|February 13, 2019
Reliable and practical computational description of molecular crystal polymorphsJohannes Hoja, Hsin-Yu Ko, Marcus A Neumann, et al.
Journal of Computer-Aided Molecular Design|August 2, 2005
Protonation-induced stereoisomerism in nicotine: conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamicsPhilip S Hammond, Yudong Wu, Rebecca Harris, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 10, 2011
Oxidation state changes and electron flow in enzymatic catalysis and electrocatalysis through Wannier-function analysisPatrick H-L Sit, Federico Zipoli, Jia Chen, et al.
Nanoscale|September 22, 2018
Root-growth of boron nitride nanotubes: experiments and ab initio simulationsBiswajit Santra, Hsin-Yu Ko, Yao-Wen Yeh, et al.
Physical Review Letters|November 24, 2011
Hydrogen bonds and van der waals forces in ice at ambient and high pressuresBiswajit Santra, Jiří Klimeš, Dario Alfè, et al.
The Journal of Chemical Physics|October 29, 2013
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressuresBiswajit Santra, Jirí Klimes, Alexandre Tkatchenko, et al.
The Journal of Chemical Physics|January 27, 2021
When do short-range atomistic machine-learning models fall short?Shuwen Yue, Maria Carolina Muniz, Marcos F Calegari Andrade, et al.
Pageof 13