Introduction to molecular dynamics methods
M Sprik
– MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49,
43
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
M TUCKERMAN, K LAASONEN, M SPRIK, M PARRINELLO
– The Journal of Chemical Physics
(1995)
103,
150
(DOI: 10.1063/1.469654)
CONFORMATIONAL AND ORIENTATIONAL DISORDER IN SOLID POLYTETRAFLUOROETHYLENE
M SPRIK, U ROTHLISBERGER, ML KLEIN
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1995)
209,
375
Influence of surface topology and electrostatic potential on water/electrode systems
JI SIEPMANN, M SPRIK
– The Journal of Chemical Physics
(1995)
102,
511
(DOI: 10.1063/1.469429)
Molecular dynamics techniques for complex molecular systems
M Sprik
– OBSERVATION, PREDICTION AND SIMULATION OF PHASE TRANSITIONS IN COMPLEX FLUIDS
(1995)
460,
421
Properties of supercritical water: an ab initio simulation
ES FOIS, M SPRIK, M PARRINELLO
– Chemical Physics Letters
(1994)
223,
411
(DOI: 10.1016/0009-2614(94)00494-3)
AB-INITIO LIQUID WATER AND THE CONDUCTIVE STATE OF THE EXCESS ELECTRON
K LAASONEN, M SPRIK, M PARRINELLO
– ULTRAFAST REACTION DYNAMICS AND SOLVENT EFFECTS
(1994)
87
SIMULATION OF SELF-ASSEMBLED MONOLAYERS - MICROSCOPIC STRUCTURE OF AMINO ALKYLTHIOLS
U ROTHLISBERGER, ML KLEIN, M SPRIK
– COMPUTATIONAL APPROACHES IN SUPRAMOLECULAR CHEMISTRY
(1994)
426,
399
Competing interactions in self-assembled monolayers containing peptide groups: molecular dynamics studies of long-chain perfluoro mercaptans on Au(111)
U ROTHLISBERGER, ML KLEIN, M SPRIK
– J. Mater. Chem.
(1994)
4,
793
(DOI: 10.1039/JM9940400793)
‘‘<i>Ab</i> <i>initio</i>’’ liquid water
K LAASONEN, M SPRIK, M PARRINELLO, R CAR
– The Journal of Chemical Physics
(1993)
99,
9080
(DOI: 10.1063/1.465574)
Electrostatics at the water-hydrocarbon interface
M Sprik, JC Shelley
– Tenside, Surfactants, Detergents
(1993)
30,
243
EFFECTIVE PAIR POTENTIALS AND BEYOND
M SPRIK
– COMPUTER SIMULATION IN CHEMICAL PHYSICS
(1993)
397,
211
ORDERING OF FRACTIONAL MONOLAYERS OF H2O ON NI(110)
JI SIEPMANN, M SPRIK
– Surface Science
(1992)
279,
l185
(DOI: 10.1016/0039-6028(92)90734-n)
Folding of model heteropolymers by configurational-bias Monte Carlo
JI SIEPMANN, M SPRIK
– Chemical Physics Letters
(1992)
199,
220
(DOI: 10.1016/0009-2614(92)80109-o)
Orientational ordering in solid C70: Predictions from computer simulation
M Sprik, A Cheng, ML Klein
– Phys Rev Lett
(1992)
69,
1660
(DOI: 10.1103/physrevlett.69.1660)
ADSORPTION OF WATER ON METAL-ELECTRODES OF VARIOUS SHAPE AND ELECTROSTATIC POTENTIAL
M SPRIK
– ABSTR PAP AM CHEM S
(1992)
204,
77
ARE MODELS OF ANION HYDRATION OVERBOUND - THE SOLVATION OF THE ELECTRON AND CHLORIDE ANION COMPARED
M SPRIK
– The European Physical Journal Special Topics
(1991)
01,
99
(DOI: 10.1051/jp4:1991512)
Hydrogen bonding and the static dielectric constant in liquid water
M SPRIK
– The Journal of Chemical Physics
(1991)
95,
6762
(DOI: 10.1063/1.461515)
QUANTUM SIMULATION USING PATH-INTEGRALS
M SPRIK
– COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205,
305
Adiabatic dynamics of the solvated electron in liquid ammonia
M SPRIK, ML KLEIN
– The Journal of Chemical Physics
(1989)
91,
5665
(DOI: 10.1063/1.457543)