Theo dơi
Michael L Klein
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Comparison of simple potential functions for simulating liquid water
WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein
The Journal of chemical physics 79 (2), 926-935, 1983
429371983
Constant pressure molecular dynamics algorithms
GJ Martyna, DJ Tobias, ML Klein
The Journal of chemical physics 101 (5), 4177-4189, 1994
57711994
Nosé–Hoover chains: The canonical ensemble via continuous dynamics
GJ Martyna, ML Klein, M Tuckerman
The Journal of chemical physics 97 (4), 2635-2643, 1992
56871992
Constant pressure molecular dynamics for molecular systems
S Nosé, ML Klein
Molecular Physics 50 (5), 1055-1076, 1983
35321983
Explicit reversible integrators for extended systems dynamics
GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein
Molecular Physics 87 (5), 1117-1157, 1996
21771996
Revolutionizing science and engineering through cyberinfrastructure: Report of the National Science Foundation blue-ribbon advisory panel on cyberinfrastructure
DE Atkins
National Science Foundation, 2003
1196*2003
Using collective variables to drive molecular dynamics simulations
G Fiorin, ML Klein, J Hénin
Molecular Physics 111 (22-23), 3345-3362, 2013
9712013
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ...
Nature chemistry 8 (9), 831-836, 2016
9512016
On the quantum nature of the shared proton in hydrogen bonds
ME Tuckerman, D Marx, ML Klein, M Parrinello
Science 275 (5301), 817-820, 1997
8611997
Self-assembly of Janus dendrimers into uniform dendrimersomes and other complex architectures
V Percec, DA Wilson, P Leowanawat, CJ Wilson, AD Hughes, ...
Science 328 (5981), 1009-1014, 2010
7762010
A coarse grain model for phospholipid simulations
JC Shelley, MY Shelley, RC Reeder, S Bandyopadhyay, ML Klein
The Journal of Physical Chemistry B 105 (19), 4464-4470, 2001
6532001
De novo design of antimicrobial polymers, foldamers, and small molecules: from discovery to practical applications
GN Tew, RW Scott, ML Klein, WF DeGrado
Accounts of chemical research 43 (1), 30-39, 2010
6362010
Coarse grain models and the computer simulation of soft materials
SO Nielsen, CF Lopez, G Srinivas, ML Klein
Journal of Physics: Condensed Matter 16 (15), R481, 2004
6342004
From molecules to materials: Current trends and future directions
P Alivisatos, PF Barbara, AW Castleman, J Chang, DA Dixon, ML Klein, ...
Advanced Materials 10 (16), 1297-1336, 1998
6271998
A polarizable model for water using distributed charge sites
M Sprik, ML Klein
The Journal of Chemical Physics 89 (12), 7556-7560, 1988
6091988
De novo design of biomimetic antimicrobial polymers
GN Tew, D Liu, B Chen, RJ Doerksen, J Kaplan, PJ Carroll, ML Klein, ...
Proceedings of the National Academy of Sciences 99 (8), 5110-5114, 2002
5892002
Molecular model for aqueous ferrous–ferric electron transfer
RA Kuharski, JS Bader, D Chandler, M Sprik, ML Klein, RW Impey
The Journal of chemical physics 89 (5), 3248-3257, 1988
5811988
Simulation of a monolayer of alkyl thiol chains
J Hautman, ML Klein
The Journal of Chemical Physics 91 (8), 4994-5001, 1989
5611989
Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals
ME Tuckerman, BJ Berne, GJ Martyna, ML Klein
The Journal of Chemical Physics 99 (4), 2796-2808, 1993
5571993
Rare gas solids
ML Klein, JA Venables
(No Title), 1976
539*1976
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