Anders Wallqvist

Dr. Anders Wallqvist

Biotechnology HPC Software Applications Institute

Research Focus & Metrics

Academic Career Length

44Years (1983-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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8 October 1997 in The Journal of Chemical Physics
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Journal Article
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CRCecilie Ro/Nne
Cecilie Ro/Nne
LTLars Thrane
Lars Thrane
PÅPer-Olof Åstrand
Per-Olof Åstrand
AWAnders Wallqvist
Anders Wallqvist
KMKurt V. Mikkelsen
Kurt V. Mikkelsen
SKSo/Ren R. Keiding
So/Ren R. Keiding
We report measurements of the real and imaginary part of the dielectric constant of liquid water in the far-infrared region from 0.1 to 2.0 THz in a temperature range from 271.1 to 366.7 K. The data have been obtained with the use of THz time domain reflection spectroscopy, utilizing ultrashort electromagnetic pulses generated from a photoconductive antenna driven by femtosecond laser pulses. A Debye model with an additional relaxation time is used to fit the frequency dependence of the complex dielectric constants. We obtain a fast (fs) and a Debye (ps) relaxation time for the macroscopic polarization. The corresponding time correlation functions have been calculated with molecular dynamics simulations and are compared with experimental relaxation times. The temperature dependence of the Debye relaxation time is analyzed using three models: Transition state theory, a Debye–Stoke–Einstein relation between the viscosity and the Debye time, and a model stating that its temperature dependence can be extrapolated from a singularity of liquid water at 228 K. We find an excellent agreement between experiment and the two latter models. The simulations, however, present results with too large statistical error for establishing a relation for the temperature dependence.

20 October 1989 in Molecular Physics
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Journal Article
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PAPeter Ahlström
Peter Ahlström
AWAnders Wallqvist
Anders Wallqvist
SESven Engström
Sven Engström
BJBo Jönsson
Bo Jönsson

1 April 2012 in Drug Discovery Today
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Journal Article
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HSHongmao Sun
Hongmao Sun
GTGregory Tawa
Gregory Tawa
AWAnders Wallqvist
Anders Wallqvist

1 January 1998 in Journal of the American Chemical Society
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AWAnders Wallqvist
Anders Wallqvist
DCD. G. Covell
D. G. Covell
DTD. Thirumalai
D. Thirumalai

1 June 1983 in Journal of the American Chemical Society
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Journal Article
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GKG. Karlstroem
G. Karlstroem
PLP. Linse
P. Linse
AWAnders Wallqvist
Anders Wallqvist
BJB. Joensson
B. Joensson

1 March 1995 in The Journal of Physical Chemistry
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Journal Article
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AWAnders Wallqvist
Anders Wallqvist
BBB. J. Berne
B. J. Berne