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Alessandro Curioni

Showing results (1-10 of 32) with videos related to

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Chemistry (Weinheim an Der Bergstrasse, Germany)|February 23, 2012
A new piece in the puzzle of lithium/air batteries: computational study on the chemical stability of propylene carbonate in the presence of lithium peroxideTeodoro Laino, Alessandro Curioni
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 9, 2005
Car-Parrinello molecular dynamics on massively parallel computersJürg Hutter, Alessandro Curioni
The Journal of Chemical Physics|March 3, 2005
Calculation of nonadiabatic couplings in density-functional theorySalomon R Billeter, Alessandro Curioni
Journal of the American Chemical Society|April 16, 2008
Metal-carbon nanotube contacts: the link between Schottky barrier and chemical bondingVincenzo Vitale, Alessandro Curioni, Wanda Andreoni
Journal of Proteome Research|March 20, 2003
Studies in the assessment of folding quality for protein modeling and structure predictionBarry Robson, Tiziana Mordasini, Alessandro Curioni
Journal of Computer-Aided Molecular Design|August 3, 2005
Enhancing the accuracy of virtual screening: molecular dynamics with quantum-refined force fieldsAlessandro Curioni, Tiziana Mordasini, Wanda Andreoni
Journal of Chemical Theory and Computation|November 26, 2015
Reaction Dynamics of ATP Hydrolysis in Actin Determined by ab Initio Molecular Dynamics SimulationsHolly Freedman, Teodoro Laino, Alessandro Curioni
Current Opinion in Structural Biology|May 11, 2024
Advancing biomolecular simulation through exascale HPC, AI and quantum computingEdward O Pyzer-Knapp, Alessandro Curioni
The Journal of Biological Chemistry|December 24, 2002
Why do divalent metal ions either promote or inhibit enzymatic reactions? The case of BamHI restriction endonuclease from combined quantum-classical simulationsTiziana Mordasini, Alessandro Curioni, Wanda Andreoni
Physical Review Letters|March 16, 2007
Anomalous behavior of the dielectric constant of hafnium silicates: a first principles studyCarlo A Pignedoli, Alessandro Curioni, Wanda Andreoni
Pageof 4

Showing results (1-10 of 32) with videos related to

Sort By:
Pageof 4
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 23, 2012
A new piece in the puzzle of lithium/air batteries: computational study on the chemical stability of propylene carbonate in the presence of lithium peroxideTeodoro Laino, Alessandro Curioni
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 9, 2005
Car-Parrinello molecular dynamics on massively parallel computersJürg Hutter, Alessandro Curioni
The Journal of Chemical Physics|March 3, 2005
Calculation of nonadiabatic couplings in density-functional theorySalomon R Billeter, Alessandro Curioni
Journal of the American Chemical Society|April 16, 2008
Metal-carbon nanotube contacts: the link between Schottky barrier and chemical bondingVincenzo Vitale, Alessandro Curioni, Wanda Andreoni
Journal of Proteome Research|March 20, 2003
Studies in the assessment of folding quality for protein modeling and structure predictionBarry Robson, Tiziana Mordasini, Alessandro Curioni
Journal of Computer-Aided Molecular Design|August 3, 2005
Enhancing the accuracy of virtual screening: molecular dynamics with quantum-refined force fieldsAlessandro Curioni, Tiziana Mordasini, Wanda Andreoni
Journal of Chemical Theory and Computation|November 26, 2015
Reaction Dynamics of ATP Hydrolysis in Actin Determined by ab Initio Molecular Dynamics SimulationsHolly Freedman, Teodoro Laino, Alessandro Curioni
Current Opinion in Structural Biology|May 11, 2024
Advancing biomolecular simulation through exascale HPC, AI and quantum computingEdward O Pyzer-Knapp, Alessandro Curioni
The Journal of Biological Chemistry|December 24, 2002
Why do divalent metal ions either promote or inhibit enzymatic reactions? The case of BamHI restriction endonuclease from combined quantum-classical simulationsTiziana Mordasini, Alessandro Curioni, Wanda Andreoni
Physical Review Letters|March 16, 2007
Anomalous behavior of the dielectric constant of hafnium silicates: a first principles studyCarlo A Pignedoli, Alessandro Curioni, Wanda Andreoni
Pageof 4