Yusuf Hamied Department of Chemistry

Publications by Professor Michiel Sprik

Structure of Hydrophilic Self-Assembled Monolayers: A Combined Scanning Tunneling Microscopy and Computer Simulation Study
M Sprik, E Delamarche, B Michel, U Roethlisberger, ML Klein, H Wolf, H Ringsdorf
Langmuir
(2002)
10
(doi: 10.1021/la00023a035)
Ab initio molecular dynamics study of a model swelling smectite clay.
M Sprik, ES Boek
ABSTR PAP AM CHEM S
(2002)
223
Time and length scales in ab initio molecular dynamics
U Röthlisberger, M Sprik, J Hutter
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
Electronic properties of hard and soft ions in solution: Aqueous Na+ and Ag+ compared
R Vuilleumier, M Sprik
Journal of Chemical Physics
(2001)
115
(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
(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
Journal of Physical Chemistry B
(2000)
104
(doi: 10.1021/jp002534s)
Computation of the pK of liquid water using coordination constraints
M Sprik
Chemical Physics
(2000)
258
(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
(doi: 10.1016/S0166-1280(00)00426-7)
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)
New generalized gradient approximation functionals
AD Boese, NL Doltsinis, NC Handy, M Sprik
Journal of Chemical Physics
(2000)
112
(doi: 10.1063/1.480732)
Key Steps of the cis-Platin-DNA Interaction: Density Functional Theory-Based Molecular Dynamics Simulations
P Carloni, M Sprik, W Andreoni
The Journal of Physical Chemistry B
(2000)
104
(doi: 10.1021/jp992590x)
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)
Structure and phase behavior of a model clay dispersion: A molecular-dynamics investigation
S Kutter, J-P Hansen, M Sprik, E Boek
Journal of Chemical Physics
(2000)
112
(doi: 10.1063/1.480582)
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
(doi: 10.1021/la990704q)
Pressure-induced structural and chemical changes of solid HBr
T Ikeda, M Sprik, K Terakura, M Parrinello
The Journal of Chemical Physics
(1999)
111
(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
(doi: 10.1016/S0921-4526(98)01333-7)
Solvation and ionisation of alkali metals in liquid ammonia: a path integral Monte Carlo study
M Marchi, M Sprik, ML Klein
Journal of Physics: Condensed Matter
(1999)
2
(doi: 10.1088/0953-8984/2/26/021)
Ab initio molecular dynamics simulation of liquids and solutions
M Sprik
Journal of Physics Condensed Matter
(1999)
8
(doi: 10.1088/0953-8984/8/47/036)
Ab initio simulations of water and water ions
ME Tuckerman, K Laasonen, M Sprik, M Parrinello
Journal of Physics Condensed Matter
(1999)
6
(doi: 10.1088/0953-8984/6/23a/010)
Quantum simulation of hydrated electrons
M Sprik
Journal of Physics: Condensed Matter
(1999)
2
(doi: 10.1088/0953-8984/2/s/022)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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