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The Journal of Chemical Physics
|
May 2, 2016
Study of clathrate hydrates via equilibrium molecular-dynamics simulation employing polarisable and non-polarisable, rigid and flexible water models
Christian J Burnham, Niall J English
The Journal of Physical Chemistry Letters
|
September 15, 2017
Electropumping of Water Through Human Aquaporin 4 by Circularly Polarized Electric Fields: Dramatic Enhancement and Control Revealed by Non-Equilibrium Molecular Dynamics
Christian J Burnham, Niall J English
Journal of Chemical Theory and Computation
|
May 16, 2019
Crystal Structure Prediction via Basin-Hopping Global Optimization Employing Tiny Periodic Simulation Cells, with Application to Water-Ice
Christian J Burnham, Niall J English
International Journal of Molecular Sciences
|
January 8, 2020
A New Relatively Simple Approach to Multipole Interactions in Either Spherical Harmonics or Cartesians, Suitable for Implementation into Ewald Sums
Christian J Burnham, Niall J English
The Journal of Chemical Physics
|
February 8, 2016
Communication: Librational dynamics in water, sI and sII clathrate hydrates, and ice Ih: Molecular-dynamics insights
Christian J Burnham, Niall J English
Physical Chemistry Chemical Physics : PCCP
|
December 7, 2016
Quantum and classical inter-cage hopping of hydrogen molecules in clathrate hydrate: temperature and cage-occupation effects
Christian J Burnham, Zdenek Futera, Niall J English
The Journal of Chemical Physics
|
March 17, 2018
Study of hydrogen-molecule guests in type II clathrate hydrates using a force-matched potential model parameterised from ab initio molecular dynamics
Christian J Burnham, Zdenek Futera, Niall J English
Physical Chemistry Chemical Physics : PCCP
|
March 8, 2018
Electro-nucleation of water nano-droplets in No Man's Land to fault-free ice I<sub>c</sub>
Prithwish K Nandi, Christian J Burnham, Niall J English
The Journal of Chemical Physics
|
February 3, 2018
Electro-suppression of water nano-droplets' solidification in no man's land: Electromagnetic fields' entropic trapping of supercooled water
Prithwish K Nandi, Christian J Burnham, Niall J English
The Journal of Chemical Physics
|
July 23, 2004
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching
Sergei Izvekov, Michele Parrinello, Christian J Burnham, et al.
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of 2
Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
May 2, 2016
Study of clathrate hydrates via equilibrium molecular-dynamics simulation employing polarisable and non-polarisable, rigid and flexible water models
Christian J Burnham, Niall J English
The Journal of Physical Chemistry Letters
|
September 15, 2017
Electropumping of Water Through Human Aquaporin 4 by Circularly Polarized Electric Fields: Dramatic Enhancement and Control Revealed by Non-Equilibrium Molecular Dynamics
Christian J Burnham, Niall J English
Journal of Chemical Theory and Computation
|
May 16, 2019
Crystal Structure Prediction via Basin-Hopping Global Optimization Employing Tiny Periodic Simulation Cells, with Application to Water-Ice
Christian J Burnham, Niall J English
International Journal of Molecular Sciences
|
January 8, 2020
A New Relatively Simple Approach to Multipole Interactions in Either Spherical Harmonics or Cartesians, Suitable for Implementation into Ewald Sums
Christian J Burnham, Niall J English
The Journal of Chemical Physics
|
February 8, 2016
Communication: Librational dynamics in water, sI and sII clathrate hydrates, and ice Ih: Molecular-dynamics insights
Christian J Burnham, Niall J English
Physical Chemistry Chemical Physics : PCCP
|
December 7, 2016
Quantum and classical inter-cage hopping of hydrogen molecules in clathrate hydrate: temperature and cage-occupation effects
Christian J Burnham, Zdenek Futera, Niall J English
The Journal of Chemical Physics
|
March 17, 2018
Study of hydrogen-molecule guests in type II clathrate hydrates using a force-matched potential model parameterised from ab initio molecular dynamics
Christian J Burnham, Zdenek Futera, Niall J English
Physical Chemistry Chemical Physics : PCCP
|
March 8, 2018
Electro-nucleation of water nano-droplets in No Man's Land to fault-free ice I<sub>c</sub>
Prithwish K Nandi, Christian J Burnham, Niall J English
The Journal of Chemical Physics
|
February 3, 2018
Electro-suppression of water nano-droplets' solidification in no man's land: Electromagnetic fields' entropic trapping of supercooled water
Prithwish K Nandi, Christian J Burnham, Niall J English
The Journal of Chemical Physics
|
July 23, 2004
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching
Sergei Izvekov, Michele Parrinello, Christian J Burnham, et al.
Page
of 2