Примеры использования Molecular dynamics на Английском языке и их переводы на Русский язык
{-}
-
Official
-
Colloquial
Structural biology and molecular dynamics.
Do full-atom molecular dynamics simulations and other scientific applications.
Structural biology and molecular dynamics;
Key words: molecular dynamics, thin films, nanoindentation, uniaxial deformation.
Structural biology: bioinformatics and molecular dynamics description.
Simulations in molecular dynamics divide the space in which the simulation take place into cells.
Structural biology: bioinformatics and molecular dynamics.
Lattice and molecular dynamics of materials;
Simulation of material properties using molecular dynamics technique.
Key words: molecular dynamics, point defects, longitudinal wave, structural relaxation, defect migration.
We investigated mechanical properties of the bi-layer graphene structures by means of the molecular dynamics method.
Mathematical modeling, molecular dynamics, calculation algorithm.
His group originated and currently coordinates the development of the CHARMM program for molecular dynamics simulations.
Key words: molecular dynamics, grain boundaries, deformation, grain boundary sliding, inter-grain shift.
It is frequently used to calculate trajectories of particles in molecular dynamics simulations and computer graphics.
Key words: molecular dynamics, metal, hydrogen, absorption, energy of absorption, octahedral hole, tetrahedral hole.
In 1884, William Thomson, 1st Baron Kelvin delivered twenty lectures on molecular dynamics and the wave theory of light.
Key words: molecular dynamics, nanocluster, structure, symmetry, streamlining, copper, gold, interaction, potential.
In 1989 he defended his doctoral dissertation on the topic“Molecular Dynamics and Radical Reactions in Polymers under High Pressures”.
Molecular dynamics Application of classical mechanics for simulating the movement of the nuclei of an assembly of atoms and molecules.
In 1884, Thomson led a master class on"Molecular Dynamics and the Wave Theory of Light" at Johns Hopkins University.
Molecular dynamics method provides yet another mean to check pharmocological effect claimed by the drug producers.
A new book"Computer Design for New Drugs and Materials: Molecular Dynamics of Nanoscale Phenomena", edited by Professor Kholmirzo T.
Molecular dynamics simulations require considerable computational resources, dramatically increasing with the growth of the system size.
The investigated models of the complexes were obtained as a result of preliminary modeling on the basis of calculations carried out by the molecular dynamics method.
Keywords: plastic deformation, molecular dynamics, reorganization of crystal structure, a pressure of shift, deformation of shift.
The structure of two-component Cu n Au 144-n nanoclusters of various compositions and 145-atom copper andgold clusters has been studied by molecular dynamics method.
Key words: molecular dynamics, amorphous metals, Lyapunov instability, Pontryagin instability, theory of dynamic systems, crystal cluster.
Direct experimental investigation of individual molecules mobility can not be accomplished, butit is possible to get all its parameters from a molecular dynamics(MD) simulation.
For such purposes we employ state-of-the-art computational methodologies(density functional treory, molecular dynamics, multiscale modeling) and combine them with advanced machine learning algorithms.