WorldCat Identities

Frenkel, Daan 1948-

Overview
Works: 45 works in 132 publications in 6 languages and 2,740 library holdings
Genres: Juvenile works  Comic books, strips, etc  Biography  Conference papers and proceedings 
Roles: Author, Editor, Thesis advisor, Other
Publication Timeline
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Most widely held works by Daan Frenkel
Understanding molecular simulation : from algorithms to applications by Daan Frenkel( )

46 editions published between 1996 and 2012 in English and Chinese and held by 2,367 WorldCat member libraries worldwide

Providing a unified presentation of computational tools used to study molecular systems, this book explains the physics behind the recipes of molecular simulation for materials science
Simulation of liquids and solids : molecular dynamics and Monte Carlo methods in statistical mechanics( Book )

20 editions published between 1987 and 1990 in English and held by 268 WorldCat member libraries worldwide

Rotational relaxation of linear molecules in dense noble gases by Daan Frenkel( )

8 editions published in 1977 in English and held by 20 WorldCat member libraries worldwide

Advanced computer simulation approaches for soft matter sciences 1 by K Binder( )

1 edition published in 2005 in English and held by 11 WorldCat member libraries worldwide

Soft matter science is nowadays an acronym for an increasingly important class of materials, which ranges from polymers, liquid crystals, colloids up to complex macromolecular assemblies, covering sizes from the nanoscale up the microscale. Computer simulations have proven as an indispensable, if not the most powerful, tool to understand properties of these materials and link theoretical models to experiments. In this first volume of a small series recognized leaders of the field review advanced topics and provide critical insight into the state-of-the-art methods and scientific questions of this lively domain of soft condensed matter research
Computerspelletjes : de postmoderne wetenschap by Daan Frenkel( Book )

2 editions published in 1989 in Dutch and held by 9 WorldCat member libraries worldwide

Understanding molecular simulation from algorithms to applications by Daan Frenkel( )

3 editions published in 2002 in English and held by 6 WorldCat member libraries worldwide

Oral history interview with Berni J. Alder by B. J Alder( )

3 editions published in 1990 in English and held by 3 WorldCat member libraries worldwide

Discussion includes use of early computers in statistical mechanics; the development of the Monte Carlo method and his role in the invention of molecular dynamics simulation; the people involved with the Monte Carlo method at Los Alamos and his own colleagues: Edward Teller, Marshall Rosenbluth, Nick Metropolis, Stan Frankel, John G. Kirkwood, Bill Wood; work at the Lawrence Livermore National Laboratory; difficulties with acceptance of his work within the scientific Community; computer simulation versus real experiments, past and present; brief account of his personal history
Interphases and mesophases in polymer crystallization by Giuseppe Allegra( Book )

1 edition published in 2005 in English and held by 3 WorldCat member libraries worldwide

Geṿald! In geṿald by Bat Melekh( Book )

2 editions published in 2016 in Yiddish and held by 2 WorldCat member libraries worldwide

Understanding molecular simulation from algorithms to applications by Daan Frenkel( Book )

1 edition published in 2002 in English and held by 2 WorldCat member libraries worldwide

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
Modelling multivalent interactions by Tine Curk( )

2 editions published in 2016 in English and held by 2 WorldCat member libraries worldwide

A Multivalent entity, which could represent a protein, nanoparticle, polymer, virus or a lipid bilayer, has the ability to form multiple bonds to a substrate. Hence, a multivalent interaction can be strong, even if the individual bonds are weak. However, much more interestingly, multivalency enables the design of highly specific interactions using non-specific individual bonds. We attempt to rationalise multivalent effects using simple physical models complemented with numerical simulations. Based on physiochemical characteristics of multivalent binders, we aim to predict the overall strength of interaction and its sensitivity to variation in parameters. We start with a simple model of homo-multivalency, where all bonds are equivalent. Such systems can exhibit a super-selective response, which denotes the high sensitivity of the strength of multivalent binding to the number of accessible binding sites on the target surface. We present a theoretical analysis of systems of multivalent particles and show that a certain degree of disorder is necessary for super-selective behaviour. Moreover, we formulate a set of simple design rules for multivalent interactions that yield optimal selectivity. In the second stage, we expand the model to hetero-multivalency, accounting for multiple distinct types of binding partners. We consider targeting of cells based on a density profile of different membrane receptors types and demonstrate, that speci city towards a desired receptor density profile can be obtained. Hence, cells can be reliably targeted in the absence of specific markers. Crucially, we show that for optimal selectivity, individual bonds must be weak. Finally, we add information about specific geometry and positions of binding sites on the multivalent entity. We focus on molecular imprinting; the process whereby a polymer matrix is cross-linked in the presence of template molecules. The cross-linking process endows the polymer matrix with a chemical %memory%, such that the target molecules can subsequently be recognised by the matrix. We show how the binding multivalency and the polymer material properties affect the efficiency and selectivity of molecular imprinting
Me-ʻOsher le-osher by Bat Melekh( Book )

1 edition published in 2011 in Hebrew and held by 2 WorldCat member libraries worldwide

Sipuro ha-mufla shel ha-ḳadosh Avraham ben Avraham
Molecular dynamics simulation using hard particles by M. P Allen( Book )

2 editions published between 1986 and 1989 in English and held by 2 WorldCat member libraries worldwide

Understanding molecular simulation from algorithms to applications by Daan Frenkel( )

1 edition published in 2014 in English and held by 1 WorldCat member library worldwide

Molecular dynamics simulation using hard particles by M. P Allen( Book )

1 edition published in 1989 in English and held by 1 WorldCat member library worldwide

The plastics industry in Israel : current economic status and future alternate economic outlook by Daan Frenkel( Book )

1 edition published in 1991 in English and held by 1 WorldCat member library worldwide

Fun raykhṭum tsu gliḳ : di ṿunderlikhe geshikhṭe funem ḳodesh Avraham ben Avraham by Bat Melekh( Book )

1 edition published in 2014 in Yiddish and held by 1 WorldCat member library worldwide

Retells the story of the boy, Prince Potocki, who was sent abroad to study, how he discovered that he would rather be a Jew, and his being burnt publicly
Organizat︠s︡ii︠a︡ obmena opytom v torgovle by I T︠S︡itron( Book )

1 edition published in 1931 in Russian and held by 1 WorldCat member library worldwide

 
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Audience level: 0.24 (from 0.17 for Understand ... to 0.97 for Molecular ...)

Understanding molecular simulation : from algorithms to applications Understanding molecular simulation from algorithms to applications Understanding molecular simulation from algorithms to applications
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Understanding molecular simulation from algorithms to applicationsInterphases and mesophases in polymer crystallizationUnderstanding molecular simulation from algorithms to applications
Alternative Names
Daan Frenkel Dutch physicist

Daan Frenkel físico neerlandés

Daan Frenkel nederlandsk kemiker og fysiker

Daan Frenkel nederländsk kemist och fysiker

Daan Frenkel nederlandsk kjemikar og fysikar

Daan Frenkel nederlandsk kjemiker og fysiker

Daan Frenkel niederländischer Chemiker

Daan Frenkel physicien néerlandais

Frenkel, D.

Frenkel, D. 1948-

Frenkel, Daan

Frenkel, Daniel

Frenkel, Daniel 1948-

Даан Френкель

Френкел, Дан

دان فرنكل فيزيائي هولندي

Languages