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Yusuf Hamied Department of Chemistry

 

Publications by Professor Michiel Sprik

Computer simulation of the dynamics of induced polarization fluctuations in water
M SPRIK
– The Journal of Physical Chemistry
(2002)
95,
2283
(DOI: 10.1021/j100159a034)
Structure of Hydrophilic Self-Assembled Monolayers: A Combined Scanning Tunneling Microscopy and Computer Simulation Study
M SPRIK, E DELAMARCHE, B MICHEL, U ROTHLISBERGER, ML KLEIN, H WOLF, H RINGSDORF
– Langmuir
(2002)
10,
4116
(DOI: 10.1021/la00023a035)
Ab initio molecular dynamics study of a model swelling smectite clay.
M Sprik, ES Boek
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2002)
223,
U616
Time and length scales in ab initio molecular dynamics
U Rothlisberger, M Sprik, J Hutter
– BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605,
413
Electronic properties of hard and soft ions in solution: Aqueous Na+ and Ag+ compared
R Vuilleumier, M Sprik
– Journal of Chemical Physics
(2001)
115,
3454
(DOI: 10.1063/1.1388901)
Electronic excitation spectra from time-dependent density functional response theory using plane-wave methods
NL Doltsinis, M Sprik
– Chemical Physics Letters
(2000)
330,
563
(DOI: 10.1016/S0009-2614(00)01144-1)
Hydrogen elimination and solid-state reaction in hydrogen-bonded systems under pressure: The case of HBr
T Ikeda, M Sprik, K Terakura, M Parrinello
– The Journal of Physical Chemistry B
(2000)
104,
11801
(DOI: 10.1021/jp002534s)
Computation of the p<i>K</i> of liquid water using coordination constraints
M Sprik
– Chemical Physics
(2000)
258,
139
(DOI: 10.1016/s0301-0104(00)00129-4)
Computation of electronic chemical potentials using free energy density functionals
R Vuilleumier, M Sprik, A Alavi
– Computational and Theoretical Chemistry
(2000)
506,
343
(DOI: 10.1016/S0166-1280(00)00426-7)
<i>Ab initio</i> molecular dynamics simulation of liquids and solutions
M Sprik
– Journal of Physics: Condensed Matter
(2000)
12,
A161
(DOI: 10.1088/0953-8984/12/8a/318)
New generalized gradient approximation functionals
AD Boese, NL Doltsinis, NC Handy, M Sprik
– Journal of Chemical Physics
(2000)
112,
1670
(DOI: 10.1063/1.480732)
Key steps of the <i>cis</i>-platin-DNA interaction:: Density functional theory-based molecular dynamics simulations
P Carloni, M Sprik, W Andreoni
– The Journal of Physical Chemistry B
(2000)
104,
823
(DOI: 10.1021/jp992590x)
Structure and phase behavior of a model clay dispersion: A molecular-dynamics investigation
S Kutter, JP Hansen, M Sprik, E Boek
– The Journal of Chemical Physics
(2000)
112,
311
(DOI: 10.1063/1.480582)
Ab initio molecular dynamics simulation of liquids and solutions
M Sprik
– Journal of Physics Condensed Matter
(2000)
12,
(DOI: 10.1088/0953-8984/12/8a/318)
Pattern Formation in a Self-Assembled Soap Monolayer on the Surface of Water: A Computer Simulation Study
MY Shelley, M Sprik, JC Shelley
– Langmuir
(1999)
16,
626
(DOI: 10.1021/la990704q)
Pressure-induced structural and chemical changes of solid HBr
T Ikeda, M Sprik, K Terakura, M Parrinello
– Journal of Chemical Physics
(1999)
111,
1595
(DOI: 10.1063/1.479420)
Pressure-induced structural changes of HBr
T Ikeda, M Sprik, K Terakura, M Parrinello
– Physica B: Condensed Matter
(1999)
265,
101
(DOI: 10.1016/s0921-4526(98)01333-7)
<i>Ab initio</i>molecular dynamics simulation of liquids and solutions
M Sprik
– Journal of Physics: Condensed Matter
(1999)
8,
9405
(DOI: 10.1088/0953-8984/8/47/036)
Quantum simulation of hydrated electrons
M SPRIK
– Journal of Physics Condensed Matter
(1999)
2,
SA161
(DOI: 10.1088/0953-8984/2/s/022)
Ab initio simulations of water and water ions
ME TUCKERMAN, K LAASONEN, M SPRIK, M PARRINELLO
– Journal of Physics Condensed Matter
(1999)
6,
a93
(DOI: 10.1088/0953-8984/6/23A/010)

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