Search research articles
Contact Us
Filters
Showing results (1-10 of 9) with videos related to
Page
of 1
Sort By:
The Journal of Chemical Physics
|
October 10, 2024
An ab initio approach to the Hugoniot
Jacob S Wilkins, Matt I J Probert
The Journal of Physical Chemistry. A
|
May 6, 2022
Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions
Maximilian N Bauer, Matt I J Probert, Chiara Panosetti
Nucleic Acids Research
|
January 14, 2020
The emergence of sequence-dependent structural motifs in stretched, torsionally constrained DNA
Jack W Shepherd, Robert J Greenall, Matt I J Probert, et al.
Journal of Chemical Theory and Computation
|
February 16, 2018
DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
James C Womack, Lucian Anton, Jacek Dziedzic, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Density functional theory in the solid state
Philip J Hasnip, Keith Refson, Matt I J Probert, et al.
Nanoscale
|
July 14, 2017
Atomistic dynamics of sulfur-deficient high-symmetry grain boundaries in molybdenum disulfide
Jinhua Hong, Yanlei Wang, Anle Wang, et al.
The Journal of Chemical Physics
|
August 3, 2019
Off-the-shelf DFT-DISPersion methods: Are they now "on-trend" for organic molecular crystals?
Dawn Geatches, Ian Rosbottom, Richard L Marchese Robinson, et al.
The Journal of Chemical Physics
|
July 27, 2023
Machine-learned acceleration for molecular dynamics in CASTEP
Tamás K Stenczel, Zakariya El-Machachi, Guoda Liepuoniute, et al.
Science (New York, N.Y.)
|
March 26, 2016
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 10, 2024
An ab initio approach to the Hugoniot
Jacob S Wilkins, Matt I J Probert
The Journal of Physical Chemistry. A
|
May 6, 2022
Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions
Maximilian N Bauer, Matt I J Probert, Chiara Panosetti
Nucleic Acids Research
|
January 14, 2020
The emergence of sequence-dependent structural motifs in stretched, torsionally constrained DNA
Jack W Shepherd, Robert J Greenall, Matt I J Probert, et al.
Journal of Chemical Theory and Computation
|
February 16, 2018
DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
James C Womack, Lucian Anton, Jacek Dziedzic, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Density functional theory in the solid state
Philip J Hasnip, Keith Refson, Matt I J Probert, et al.
Nanoscale
|
July 14, 2017
Atomistic dynamics of sulfur-deficient high-symmetry grain boundaries in molybdenum disulfide
Jinhua Hong, Yanlei Wang, Anle Wang, et al.
The Journal of Chemical Physics
|
August 3, 2019
Off-the-shelf DFT-DISPersion methods: Are they now "on-trend" for organic molecular crystals?
Dawn Geatches, Ian Rosbottom, Richard L Marchese Robinson, et al.
The Journal of Chemical Physics
|
July 27, 2023
Machine-learned acceleration for molecular dynamics in CASTEP
Tamás K Stenczel, Zakariya El-Machachi, Guoda Liepuoniute, et al.
Science (New York, N.Y.)
|
March 26, 2016
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, et al.
Page
of 1