Keywords
Molecular dynamicsParticle sizeNanoparticleSolventColloidRange (aeronautics)NanometreParticle (ecology)ScalabilityStatistical physicsMaterials scienceDiffusionColloidal particleComputer scienceChemical physicsNanotechnologyPhysicsChemistryComputational chemistryThermodynamicsPhysical chemistryOrganic chemistry
Affiliated Institutions
Related Publications
Small Is Different: Shape-, Size-, and Composition-Dependent Properties of Some Colloidal Semiconductor Nanocrystals
As the size of material becomes equal to or falls below the nanometer length scale that characterizes the motion of its electrons and thus its properties, the latter become sens...
CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model
Abstract A fluctuating charge (FQ) force field is applied to molecular dynamics simulations for six small proteins in explicit polarizable solvent represented by the TIP4P‐FQ po...
Are Current Semiempirical Methods Better Than Force Fields? A Study from the Thermodynamics Perspective
The semiempirical Hamiltonians MNDO, AM1, PM3, RM1, PDDG/MNDO, PDDG/PM3, and SCC-DFTB, when used as part of a hybrid QM/MM scheme for the simulation of biological molecules, wer...
Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions
This article defines the parameterization and performance of MMFF94 for intermolecular interactions. It specifies the novel “buffered” functional forms used for treating van der...
An efficient numerical multicenter basis set for molecular orbital calculations: Application to FeCl4
The use of numerical solutions to atomlike single site potentials as a basis for molecular orbital calculations is investigated. The atomic Hamiltonian is modified by addition o...
Publication Info
- Year
- 2008
- Type
- article
- Volume
- 179
- Issue
- 5
- Pages
- 320-329
- Citations
- 93
- Access
- Closed
External Links
Social Impact
Altmetric
PlumX Metrics
Social media, news, blog, policy document mentions
Citation Metrics
93
OpenAlex
Cite This
Pieter J. in ’t Veld,
Steven J. Plimpton,
Gary S. Grest
(2008).
Accurate and efficient methods for modeling colloidal mixtures in an explicit solvent using molecular dynamics.
Computer Physics Communications
, 179
(5)
, 320-329.
https://doi.org/10.1016/j.cpc.2008.03.005
Identifiers
- DOI
- 10.1016/j.cpc.2008.03.005