|
[1]
|
A hybrid MPI-CUDA approach for nonequispaced discrete Fourier transformation
Computer Physics Communications,
2020
DOI:10.1016/j.cpc.2020.107513
|
|
|
|
|
[2]
|
The
ENUF
method—Ewald summation based on
nonuniform
fast Fourier transform: Implementation, parallelization, and application
Journal of Computational Chemistry,
2020
DOI:10.1002/jcc.26395
|
|
|
|
|
[3]
|
Vibrational Lifetime of the SCN Protein Label in H2O and D2O Reports Site-Specific Solvation and Structure Changes During PYP’s Photocycle
Analytical Chemistry,
2020
DOI:10.1021/acs.analchem.9b03997
|
|
|
|
|
[4]
|
Microstructural and Dynamical Heterogeneities in Ionic Liquids
Chemical Reviews,
2020
DOI:10.1021/acs.chemrev.9b00693
|
|
|
|
|
[5]
|
Vibrational Lifetime of the SCN Protein Label in H2O and D2O Reports Site-Specific Solvation and Structure Changes During PYP’s Photocycle
Analytical Chemistry,
2020
DOI:10.1021/acs.analchem.9b03997
|
|
|
|
|
[6]
|
Microstructural and Dynamical Heterogeneities in Ionic Liquids
Chemical Reviews,
2020
DOI:10.1021/acs.chemrev.9b00693
|
|
|
|
|
[7]
|
The ENUF method—Ewald summation based on nonuniform fast Fourier transform: Implementation, parallelization, and application
Journal of Computational Chemistry,
2020
DOI:10.1002/jcc.26395
|
|
|
|
|
[8]
|
Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST
Molecular Physics,
2018
DOI:10.1080/00268976.2018.1434904
|
|
|
|
|
[9]
|
Electrostatic interactions in soft particle systems: mesoscale simulations of ionic liquids
Soft Matter,
2018
DOI:10.1039/C8SM00387D
|
|
|
|
|
[10]
|
A hybrid parallel architecture for electrostatic interactions in the simulation of dissipative particle dynamics
Computer Physics Communications,
2017
DOI:10.1016/j.cpc.2017.07.005
|
|
|
|
|
[11]
|
Accelerating electrostatic interaction calculations with graphical processing units based on new developments of ewald method using non-uniform fast fourier transform
Journal of Computational Chemistry,
2016
DOI:10.1002/jcc.24250
|
|
|
|
|
[12]
|
Hybrid particle–field molecular dynamics simulation for polyelectrolyte systems
Phys. Chem. Chem. Phys.,
2016
DOI:10.1039/C5CP06856H
|
|
|
|
|
[13]
|
Parameter Tuning for the NFFT Based Fast Ewald Summation
Frontiers in Physics,
2016
DOI:10.3389/fphy.2016.00028
|
|
|
|
|
[14]
|
Accelerating electrostatic interaction calculations with graphical processing units based on new developments of ewald method using non‐uniform fast fourier transform
Journal of Computational Chemistry,
2016
DOI:10.1002/jcc.24250
|
|
|
|