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Molecular dynamics

Known as: Dynamics, MD, Atomistics 
Molecular dynamics (MD) is a computer simulation method for studying the physical movements of atoms and molecules, and is thus a type of N-body… 
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Related topics

Related topics

50 relations
Analysis of algorithmsAndersen thermostatApplication-specific integrated circuitBerendsen thermostat

Broader (1)

Computational chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Review
2007
Review
2007
Overview No.144 - Mechanical behavior of amorphous alloys
The mechanical properties of amorphous alloys have proven both scientifically unique and of potential practical interest… 
Highly Cited
2005
Highly Cited
2005
Influence of band-structure on electron ballistic transport in silicon nanowire MOSFET's: an atomistic study
This work investigates the conduction band structure of silicon nanowires, its dependence with the wire width and its… 
Highly Cited
2002
Highly Cited
2002
Atomistic description of oxide formation on metal surfaces: the example of ruthenium
Highly Cited
1999
Highly Cited
1999
Linear combination of bulk bands method for large-scale electronic structure calculations on strained nanostructures
A {open_quotes}strained linear combination of bulk bands{close_quotes} method is introduced for calculating the single-particle… 
Highly Cited
1999
Highly Cited
1999
InAs quantum dots: Predicted electronic structure of free-standing versus GaAs-embedded structures
Using an atomistic pseudopotential approach, we have contrasted the (i) strain profiles, (ii) strain-modified band offsets, (iii… 
Highly Cited
1998
Highly Cited
1998
High-Energy Excitonic Transitions in CdSe Quantum Dots
An atomistic direct diagonalization pseudopotential approach has been used to analyze the optical excitation spectra of CdSe… 
Review
1997
Review
1997
Empirical many-body potential energy functions used in computer simulations of condensed matter properties
Highly Cited
1993
Highly Cited
1993
Multidimensional multirate filters and filter banks derived from one-dimensional filters
A method by which every multidimensional (M-D) filter with an arbitrary parallelepiped-shaped passband support can be designed… 
Highly Cited
1992
Highly Cited
1992
Presto(protein Engineering Simulator): A Vectorized Molecular Mechanics Program for Biopolymers
Highly Cited
1976
Highly Cited
1976
Drug-induced ocular side effects and drug interactions
THE REFERENCE PROVIDES THE MOST UP-TO-DATE DRUG-INDUCED OCULAR SIDE EF FECTS OF ANY PUBLICATION IN THE WORLD. MUCH OF THE… 
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