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在“
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”中,
命中:
675
条,耗时:0.020988 秒
在所有数据库中总计命中:
1,824
条
1.
raaSAFT: A framework enabling
coarse
-
grained
molecular dynamics
simulations
based on the SAFT- Mie force field
作者:
Å
;
smund Ervik
a
;
asmunder@pvv.org
;
Guadalupe Jimé
;
nez Serratos
b
;
m.jimenez-serratos@imperial.ac.uk
;
Erich A. Mü
;
ller
b
;
e.muller@imperial.ac.uk
关键词:
Molecular dynamics
;
GPU
;
HOOMD-blue
;
Coarse
-
grained
;
SAFT-γγ Mie
刊名:Computer Physics Communications
出版年:2017
2.
Lennard-Jones type pair-potential method for
coarse
-
grained
lipid bilayer membrane
simulations
in LAMMPS
作者:
S.-P. Fu
a
;
sf47@njit.edu
;
Z. Peng
b
;
H. Yuan
c
;
R. Kfoury
c
;
Y.-N. Young
a
关键词:
Membranes
;
Cell dynamics
;
Pair-potential method
刊名:Computer Physics Communications
出版年:2017
3.
Influence of grain boundaries on the radiation-induced defects and hydrogen in nanostructured and
coarse
-
grained
tungsten
作者:
G. Valles
a
;
gonzalovallesalberdi@hotmail.com" class="auth_mail" title="E-mail the corresponding author
;
M. Panizo-Laiz
a
;
C. Gonzá
;
lez
a
;
b
;
I. Martin-Bragado
c
;
R. Gonzá
;
lez-Arrabal
a
;
N. Gordillo
a
;
R. Iglesias
d
;
C.L. Guerrero
a
;
J.M. Perlado
a
;
A. Rivera
a
关键词:
Tungsten
;
Hydrogen
;
Monte Carlo simulation
;
Nanocrystalline
;
Irradiation effect
刊名:Acta Materialia
出版年:2017
4.
Atomistic modeling of nanoparticle generation in short pulse laser ablation of thin metal films in water
作者:
Cheng-Yu Shih
;
Chengping Wu
;
Maxim V. Shugaev
;
Leonid V. Zhigilei
;
lz2n@virginia.edu
关键词:
Pulsed laser ablation in liquids
;
Molecular dynamics
simulations
;
Generation of nanoparticles by laser ablation
刊名:Journal of Colloid and Interface Science
出版年:2017
5.
Blends of poly(3-alkylthiophene) and [6,6]-phenyl-C61-butyric acid methyl ester for organic photovoltaic cell applications: Multi-scale modeling approach
作者:
Hanjong Yoo
a
;
Ki Chul Kim
a
;
kichulk@gatech.edu" class="auth_mail" title="E-mail the corresponding author
;
Seung Soon Jang
a
;
b
;
c
;
seungsoon.jang@mse.gatech.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Photovoltaic
;
Density functional theory
;
Molecular dynamics simulation
;
Force field
;
Coarse
-
grained
model
刊名:Computational Materials Science
出版年:2017
6.
Ginzburg-Landau free energy for molecular fluids: Determination and
coarse
-graining
作者:
Caroline Desgranges
;
Jerome Delhommelle
;
jerome.delhommelle@und.edu
关键词:
Ginzburg-Landau free energy
;
Argon
;
Carbon dioxide
;
Water
;
Mean-field theory
;
Wang-Landau sampling
刊名:Chemical Physics Letters
出版年:2017
7.
Multiscale molecular
simulations
of the formation and structure of polyamide membranes created by interfacial polymerization
作者:
J. Muscatello
a
;
E.A. Mü
;
ller
a
;
e.muller@imperial.ac.uk
;
A.A. Mostofi
b
;
A.P. Sutton
c
刊名:Journal of Membrane Science
出版年:2017
8.
Kinetics of G Protein-Coupled Receptor Dimerization from Markov State Model Analysis of
Coarse
-
Grained
Simulations
作者:
Diego Prada-Gracia
;
Kristen Marino
;
Davide Provasi
;
Marta Filizola
刊名:Biophysical Journal
出版年:2017
9.
G protein coupled receptor interactions with cholesterol deep in the membrane
作者:
Samuel Genheden
a
;
1
;
Jonathan W. Essex
a
;
b
;
Anthony G. Lee
b
;
c
;
agl@soton.ac.uk
关键词:
CGMD
;
coarse
-
grained
molecular dynamics
;
EC
;
extracellular
;
GPCR
;
G-protein coupled receptor
;
IC
;
intracellular
;
POPC
;
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
;
TM
;
trans-membrane
刊名:Biochimica et Biophysica Acta (BBA) - Biomembranes
出版年:2017
10.
Shear stress- and line length-dependent screw dislocation cross-slip in FCC Ni
作者:
Shuozhi Xu
a
;
shuozhixu@gatech.edu" class="auth_mail" title="E-mail the corresponding author
;
Liming Xiong
b
;
Youping Chen
c
;
David L. McDowell
a
;
d
关键词:
Multiscale simulation
;
Atomistic simulation
;
Cross-slip
;
FCC metal
;
Plastic deformation
刊名:Acta Materialia
出版年:2017
1
2
3
4
5
6
7
8
9
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