Matches in SemOpenAlex for { <https://semopenalex.org/work/W278393357> ?p ?o ?g. }
Showing items 1 to 54 of
54
with 100 items per page.
- W278393357 endingPage "134" @default.
- W278393357 startingPage "125" @default.
- W278393357 abstract "In the last decade, the computer modeling of matter by simulations has become a very important area of theoretical chemistry.(1) One goal of the simulations is to understand the properties of macroscopic systems starting from the Coulomb potential and Schroedinger equation. Although it is feasible that simulation methods can treat the complete many-body quantum problem,(2) most simulations today assume a classical model with some effective interparticle potential. There are two common methods employed, Metropolis Monte Carlo (MC)(3) is an effective algorithm used for calculating static properties of many-body systems. Molecular Dynamics (MD)(4) is the term employed when Newton's equations of motion are solved to find equilibrium and non-equilibrium, dynamic and static properties of many-body systems. What all of these simulations methods have in common and their limitation is a processor fast enough to move hundreds of atoms, hundreds and thousands of times. What I want to discuss in this short" @default.
- W278393357 created "2016-06-24" @default.
- W278393357 creator A5011485947 @default.
- W278393357 date "1981-11-06" @default.
- W278393357 modified "2023-09-24" @default.
- W278393357 title "The Relative Performances of Several Scientific Computers for a Liquid Molecular Dynamics Simulation" @default.
- W278393357 doi "https://doi.org/10.1021/bk-1981-0173.ch009" @default.
- W278393357 hasPublicationYear "1981" @default.
- W278393357 type Work @default.
- W278393357 sameAs 278393357 @default.
- W278393357 citedByCount "1" @default.
- W278393357 crossrefType "book-chapter" @default.
- W278393357 hasAuthorship W278393357A5011485947 @default.
- W278393357 hasBestOaLocation W2783933572 @default.
- W278393357 hasConcept C105795698 @default.
- W278393357 hasConcept C121332964 @default.
- W278393357 hasConcept C121864883 @default.
- W278393357 hasConcept C147120987 @default.
- W278393357 hasConcept C19499675 @default.
- W278393357 hasConcept C33923547 @default.
- W278393357 hasConcept C41008148 @default.
- W278393357 hasConcept C59593255 @default.
- W278393357 hasConcept C62520636 @default.
- W278393357 hasConcept C9342510 @default.
- W278393357 hasConceptScore W278393357C105795698 @default.
- W278393357 hasConceptScore W278393357C121332964 @default.
- W278393357 hasConceptScore W278393357C121864883 @default.
- W278393357 hasConceptScore W278393357C147120987 @default.
- W278393357 hasConceptScore W278393357C19499675 @default.
- W278393357 hasConceptScore W278393357C33923547 @default.
- W278393357 hasConceptScore W278393357C41008148 @default.
- W278393357 hasConceptScore W278393357C59593255 @default.
- W278393357 hasConceptScore W278393357C62520636 @default.
- W278393357 hasConceptScore W278393357C9342510 @default.
- W278393357 hasLocation W2783933571 @default.
- W278393357 hasLocation W2783933572 @default.
- W278393357 hasOpenAccess W278393357 @default.
- W278393357 hasPrimaryLocation W2783933571 @default.
- W278393357 hasRelatedWork W153020763 @default.
- W278393357 hasRelatedWork W1975187811 @default.
- W278393357 hasRelatedWork W1980710545 @default.
- W278393357 hasRelatedWork W2004402295 @default.
- W278393357 hasRelatedWork W2046258663 @default.
- W278393357 hasRelatedWork W2067032644 @default.
- W278393357 hasRelatedWork W2068890722 @default.
- W278393357 hasRelatedWork W2071438619 @default.
- W278393357 hasRelatedWork W2157205030 @default.
- W278393357 hasRelatedWork W3104826178 @default.
- W278393357 isParatext "false" @default.
- W278393357 isRetracted "false" @default.
- W278393357 magId "278393357" @default.
- W278393357 workType "book-chapter" @default.