Effects of switching functions on the behavior of liquid water in molecular dynamics simulations

KF Lau, HE Alper, TS Thacher… - The Journal of Physical …, 1994 - ACS Publications
The effect of truncating long-ranged interactions on a wide range of water properties is
probed by comparing abrupt and switched cutoff methods to the Ewald summation methodin …
被引用次数：119 相关文章

[引用][C] Effects of Switching Functions on the Behavior of Liquid Water in Molecular Dynamics Simulations

KF LAU - J. Phys. Chem., 1994 - cir.nii.ac.jp
Effects of Switching Functions on the Behavior of Liquid Water in Molecular Dynamics
Simulations | CiNii Research CiNii 国立情報学研究所 学術情報ナビゲータ[サイニィ] 詳細へ移動 …

Effects of switching functions on the behavior of liquid water in molecular dynamics simulations

KF Lau, TS Thacher, HE Alper, TR Stouch - Journal of Physical Chemistry, 1994 - osti.gov
At 300 K, abrupt and switched cutoff methods are compared to the Ewald summation
method. The switching method reduces the self-diffusion coefficient, makes the liquid more …

Effects of switching functions on the behavior of liquid water in molecular dynamics simulations

KF Lau, TS Thacher, HE Alper… - Journal of Physical …, 1994 - inis.iaea.org
[en] At 300 K, abrupt and switched cutoff methods are compared to the Ewald summation
method. The switching method reduces the self-diffusion coefficient, makes the liquid more …

[引用][C] Effects of Switching Functions on the Behavior of Liquid Water in Molecular Dynamics Simulations

KF Lau, HE Alper, TS Thacher, TR Stouch - The Journal of Physical …, 1994 - cir.nii.ac.jp
Effects of Switching Functions on the Behavior of Liquid Water in Molecular Dynamics
Simulations | CiNii Research CiNii 国立情報学研究所 学術情報ナビゲータ[サイニィ] 詳細へ移動 …

[引用][C] EFFECTS OF SWITCHING FUNCTIONS ON THE BEHAVIOR OF LIQUID WATER IN MOLECULAR DYNAMICS SIMULATIONS

KITFUN LAU, HE ALPER… - Journal of …, 1994 - American Chemical Society