A molecular dynamics method for calculating the solubility of gases in liquids and the hydrophobic hydration of inert-gas atoms in aqueous solution

Inert Gas ◽

Solubility Of Gases ◽

An improvement in quantum mechanical description of solute-solvent interactions in condensed systems via the number-adaptive multiscale quantum mechanical/molecular mechanical-molecular dynamics method: Application to zwitterionic glycine in aqueous solution

The Journal of Chemical Physics ◽

10.1063/1.4732307 ◽

2012 ◽

Vol 137 (2) ◽

pp. 024501 ◽

Cited By ~ 20

Author(s):

Norio Takenaka ◽

Yukichi Kitamura ◽

Yoshiyuki Koyano ◽

Masataka Nagaoka

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Quantum Mechanical ◽

Solvent Interactions ◽

Mechanical Description ◽

Quantum Mechanical Description ◽

Condensed Systems ◽

Nanoparticle thermal diffusion simulation in dense gases and fluids by the molecular dynamics method

Оптика атмосферы и океана ◽

10.15372/aoo20160610 ◽

2016 ◽

Vol 29 (6) ◽

Keyword(s):

Molecular Dynamics ◽

Thermal Diffusion ◽

Dense Gases ◽

Diffusion Simulation ◽

Study on Interactive Multi-resolution Molecular Dynamics Method

Journal of the Visualization Society of Japan ◽

10.3154/jvs.20.1supplement_43 ◽

2000 ◽

Vol 20 (1Supplement) ◽

pp. 43-46

Author(s):

Ken-ichi SAITOH ◽

Takashi DOI ◽

Masao KOMAYA ◽

Takehiko INABA

Keyword(s):

Molecular Dynamics ◽

Modeling Nano-Metric Manufacturing Processes with Molecular Dynamics Method: A Review

Current Nanoscience ◽

10.2174/1573413712666160530122851 ◽

2016 ◽

Vol 13 (1) ◽

pp. 3-20 ◽

Cited By ~ 3

Author(s):

Nikolaos E. Karkalos ◽

Angelos P. Markopoulos

Keyword(s):

Molecular Dynamics ◽

Manufacturing Processes ◽

Structural evolution of aluminum hydride nanoparticles in water using ReaxFF molecular dynamics method

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101804 ◽

2020 ◽

pp. 101804 ◽

Cited By ~ 1

Author(s):

Liang Song ◽

Feng-Qi Zhao ◽

Si-Yu Xu ◽

Cai-Chao Ye ◽

Xue-Hai Ju

Keyword(s):

Molecular Dynamics ◽

Aluminum Hydride ◽

Structural Evolution ◽

Two-phase solid/liquid mixture of water/carbon nanotubes at the equilibration phase of atomic structures: Atomic value effects in a microchannel using the Molecular Dynamics method

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116820 ◽

2021 ◽

pp. 116820

Author(s):

Mostafa Naderi ◽

Arash Karimipour

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Liquid Mixture ◽

Two Phase ◽

Atomic Structures ◽

Solid Liquid ◽

A computational study of mixed-mode crack growth: Molecular dynamics method

10.1063/5.0036664 ◽

2020 ◽

Author(s):

L. V. Stepanova ◽

O. N. Belova

Keyword(s):

Molecular Dynamics ◽

Crack Growth ◽

Mixed Mode ◽

Computational Study ◽

Mixed Mode Crack ◽

Computer simulation of a two-dimensional ideal gas: a simple molecular dynamics method for teaching purposes

European Journal of Physics ◽

10.1088/0143-0807/6/3/005 ◽

1985 ◽

Vol 6 (3) ◽

pp. 148-153 ◽

Cited By ~ 11

Author(s):

M L Aiello-Nicosia ◽

R M Sperandeo-Mineo

Keyword(s):

Molecular Dynamics ◽

Computer Simulation ◽

Ideal Gas ◽

Two Dimensional ◽

Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b07816 ◽

2015 ◽

Vol 119 (46) ◽

pp. 14594-14603 ◽

Cited By ~ 4

Author(s):

Ole Juul Andersen ◽

Julie Grouleff ◽

Perri Needham ◽

Ross C. Walker ◽

Frank Jensen

Keyword(s):

Molecular Dynamics ◽

Conformational Changes ◽

Enhanced Sampling ◽

Composition effect on thermophobicity of ternary mixtures: An enhanced molecular dynamics method

The Journal of Chemical Physics ◽

10.1063/1.5031004 ◽

2018 ◽

Vol 149 (3) ◽

pp. 034502

Author(s):

Sylvie Antoun ◽

M. Ziad Saghir ◽

S. Srinivasan

Keyword(s):

Molecular Dynamics ◽

Ternary Mixtures ◽

Composition Effect ◽