Background
Frenkel, Daan was born in 1948 in Amsterdam, Netherlands.
- Photos
- Works
- Photos
- Works
book
Understanding Molecular Simulation: From Algorithms to Applications (Computational Science) by Daan Frenkel (19-Oct-2001) Hardcover
http://www.amazon.com/gp/product/B012HU76HU/?tag=2022091-20
(Understanding Molecular Simulation: From Algorithms to Applications ) Author: Daan Frenkel Nov-2001
http://www.amazon.com/gp/product/B010B9NO0M/?tag=2022091-20
Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science) by Daan Frenkel Berend Smit (2001-01-01) Paperback
http://www.amazon.com/gp/product/B012YSL4YQ/?tag=2022091-20
Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science)
(Understanding Molecular Simulation: From Algorithms to Ap...)
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: · Transition path sampling and diffusive barrier crossing to simulaterare events · Dissipative particle dynamic as a course-grained simulation technique · Novel schemes to compute the long-ranged forces · Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations · Multiple-time step algorithms as an alternative for constraints · Defects in solids · The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules · Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
http://www.amazon.com/gp/product/0122673514/?tag=2022091-20
Daan Frenkel
Edit Profilechemist physicist university professor
Daan Frenkel, Dutch physicist, educator. Recipient Spinoza prize, 2000, Aneesur Rahman Prize for Computational Physics, American Physical Society, 2007, Aneesur Rahman prize, 2007, Alder Centre Européen de Calcul Atomique et Moléculaire prize for computational stimulation, Eur. Physical Society, 2007.
Education
By training, Frenkel is an experimental physical chemist who completed his Doctor of Philosophy at the University of Amsterdam (1977).
Career
Frenkel worked as postdoctoral research fellow at University of California, Los Angeles (Chemistry and Biochemistry Department). Subsequently, he worked at Shell and at the University of Utrecht. Between 1987 and 2007, Frenkel carried out his research at the Failover Manager Institute for Atomic and Molecular Physics AMOLF in Amsterdam where he has been employed since 1987.
In the same period, he was appointed (part time) professor at the Universities of Utrecht and Amsterdam.
Since 2007 he is 1968 Professor of Chemistry at the University of Cambridge. Since 2011, he is Head of the Department of Chemistry at the University of Cambridge.
In 2008 he was made a Fellow of Trinity College Cambridge. He is a recipient of the Aneesur Rahman Prize from the American Physical Society and the Berni J Alder Centre Européen de Calcul Atomique et Moléculaire prize.
Frenkel has co-authored ´Understanding Molecular Simulation´ (together with Berend Smit), which has grown into a handbook used worldwide by aspiring computational physicists.
In 2000 he was one of three winners of the Dutch Spinoza Prize.
Achievements
Works
book
-
Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science)
(Understanding Molecular Simulation: From Algorithms to Ap...)
- Understanding Molecular Simulation: From Algorithms to Applications (Computational Science) by Daan Frenkel (19-Oct-2001) Hardcover
- (Understanding Molecular Simulation: From Algorithms to Applications ) Author: Daan Frenkel Nov-2001
- Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science) by Daan Frenkel Berend Smit (2001-01-01) Paperback
-
Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science)
Membership
Member of Royal Society London (foreign) (foreign member), Royal Dutch Academy of Sciences, American Academy Arts & Sciences (foreign) (honorary).
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Born
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Nationality
Netherlands -
Ethnicity
Awards
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ForMemRS (2006) Boltzmann Medal; Arts and Sciences
The Boltzmann Medal (or Boltzmann Award) is the most important prize awarded to physicists that obtain new results concerning statistical mechanics; it is named after the celebrated physicist Ludwig Boltzmann.The Boltzmann Medal (or Boltzmann Award) is the most important prize awarded to physicists that obtain new results concerning statistical mechanics; it is named after the celebrated physicist Ludwig Boltzmann.
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ForMemRS (2006) Boltzmann Medal; Arts and Sciences
The Boltzmann Medal (or Boltzmann Award) is the most important prize awarded to physicists that obtain new results concerning statistical mechanics; it is named after the celebrated physicist Ludwig Boltzmann.The Boltzmann Medal (or Boltzmann Award) is the most important prize awarded to physicists that obtain new results concerning statistical mechanics; it is named after the celebrated physicist Ludwig Boltzmann.