Michael L Klein
TitleCited byYear
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
277141983
Constant pressure molecular dynamics algorithms
GJ Martyna, DJ Tobias, ML Klein
The Journal of chemical physics 101 (5), 4177-4189, 1994
30471994
NosÚ–Hoover chains: The canonical ensemble via continuous dynamics
GJ Martyna, ML Klein, M Tuckerman
The Journal of chemical physics 97 (4), 2635-2643, 1992
29501992
Constant pressure molecular dynamics for molecular systems
S NosÚ, ML Klein
Molecular Physics 50 (5), 1055-1076, 1983
22121983
Explicit reversible integrators for extended systems dynamics
GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein
Molecular Physics 87 (5), 1117-1157, 1996
16431996
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
7071997
Revolutionizing science and engineering through cyberinfrastructure: Report of the National Science Foundation blue-ribbon advisory panel on cyberinfrastructure
D Atkins
6782003
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
5772001
A polarizable model for water using distributed charge sites
M Sprik, ML Klein
The Journal of chemical physics 89 (12), 7556-7560, 1988
5641988
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
5611998
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
5522010
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
5242004
Simulation of a monolayer of alkyl thiol chains
J Hautman, ML Klein
The Journal of Chemical Physics 91 (8), 4994-5001, 1989
5071989
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
4961988
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
4702002
Intermolecular potential functions and the properties of water
JR Reimers, RO Watts, ML Klein
Chemical Physics 64 (1), 95-114, 1982
4611982
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
4511993
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, 2009
4112009
Revolutionizing science and engineering through cyberinfrastructure
DE Atkins, KK Droegemeier, SI Feldman, H Garcia-Molina, ML Klein, ...
Report of the National Science Foundation blue-ribbon advisory panel oná…, 2003
4022003
Molecular‐dynamics simulation of aqueous mixtures: Methanol, acetone, and ammonia
M Ferrario, M Haughney, IR McDonald, ML Klein
The Journal of chemical physics 93 (7), 5156-5166, 1990
3951990
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Articles 1–20