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Showing results (31-40 of 96) with videos related to

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The Journal of Chemical Physics|January 26, 2010
Benchmark all-electron ab initio quantum Monte Carlo calculations for small moleculesNorbert Nemec, Michael D Towler, R J Needs
The Journal of Chemical Physics|December 17, 2008
Energy derivatives in quantum Monte Carlo involving the zero-variance propertyA Badinski, J R Trail, R J Needs
Physical Review Letters|July 20, 2001
Quantum Monte Carlo analysis of exchange and correlation in the strongly inhomogeneous electron gasM Nekovee, W M Foulkes, R J Needs
The Journal of Chemical Physics|March 3, 2011
Quantum Monte Carlo study of the first-row atoms and ionsP Seth, P López Ríos, R J Needs
The Journal of Chemical Physics|October 10, 2014
Temperature effects in first-principles solid state calculations of the chemical shielding tensor made simpleBartomeu Monserrat, Richard J Needs, Chris J Pickard
The Journal of Chemical Physics|January 3, 2016
Vibrational renormalisation of the electronic band gap in hexagonal and cubic iceEdgar A Engel, Bartomeu Monserrat, Richard J Needs
The Journal of Chemical Physics|August 1, 2016
Vibrational effects on surface energies and band gaps in hexagonal and cubic iceEdgar A Engel, Bartomeu Monserrat, Richard J Needs
Proceedings of the National Academy of Sciences of the United States of America|May 21, 2015
Prediction of 10-fold coordinated TiO2 and SiO2 structures at multimegabar pressuresMatthew J Lyle, Chris J Pickard, Richard J Needs
Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 17, 2015
Computational searches for iron oxides at high pressuresGihan L Weerasinghe, Chris J Pickard, R J Needs
Physical Chemistry Chemical Physics : PCCP|February 13, 2015
Calcium peroxide from ambient to high pressuresJoseph R Nelson, Richard J Needs, Chris J Pickard
Pageof 10

Showing results (31-40 of 96) with videos related to

Sort By:
Pageof 10
The Journal of Chemical Physics|January 26, 2010
Benchmark all-electron ab initio quantum Monte Carlo calculations for small moleculesNorbert Nemec, Michael D Towler, R J Needs
The Journal of Chemical Physics|December 17, 2008
Energy derivatives in quantum Monte Carlo involving the zero-variance propertyA Badinski, J R Trail, R J Needs
Physical Review Letters|July 20, 2001
Quantum Monte Carlo analysis of exchange and correlation in the strongly inhomogeneous electron gasM Nekovee, W M Foulkes, R J Needs
The Journal of Chemical Physics|March 3, 2011
Quantum Monte Carlo study of the first-row atoms and ionsP Seth, P López Ríos, R J Needs
The Journal of Chemical Physics|October 10, 2014
Temperature effects in first-principles solid state calculations of the chemical shielding tensor made simpleBartomeu Monserrat, Richard J Needs, Chris J Pickard
The Journal of Chemical Physics|January 3, 2016
Vibrational renormalisation of the electronic band gap in hexagonal and cubic iceEdgar A Engel, Bartomeu Monserrat, Richard J Needs
The Journal of Chemical Physics|August 1, 2016
Vibrational effects on surface energies and band gaps in hexagonal and cubic iceEdgar A Engel, Bartomeu Monserrat, Richard J Needs
Proceedings of the National Academy of Sciences of the United States of America|May 21, 2015
Prediction of 10-fold coordinated TiO2 and SiO2 structures at multimegabar pressuresMatthew J Lyle, Chris J Pickard, Richard J Needs
Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 17, 2015
Computational searches for iron oxides at high pressuresGihan L Weerasinghe, Chris J Pickard, R J Needs
Physical Chemistry Chemical Physics : PCCP|February 13, 2015
Calcium peroxide from ambient to high pressuresJoseph R Nelson, Richard J Needs, Chris J Pickard
Pageof 10