The authors provide systematic derivations of various methods to help readers understand the merits and drawbacks of common ab initio molecular dynamics techniques, including a discussion of the widely-used Car-Parrinello approach that corrects misconceptions found in research literature.
What does MD stand for?
MD stands for Molecular Dynamics
This definition appears very frequently and is found in the following Acronym Finder categories:
- Science, medicine, engineering, etc.
See other definitions of MD
We have 294 other meanings of MD in our Acronym Attic
- Mode (DSC)
- Model Design
- Moderator Detritiation
- Modern Drummer (magazine)
- Modernization Division (Forecast Systems Laboratory, NOAA)
- Modificador Directo (Spanish grammar)
- Modulation Depth
- Module Designer (gaming)
- Mogen David (wine)
- Moldova (ISO country identifier)
Samples in periodicals archive:
00 Hardcover QP517 The Laboratory of Radiation Biology of the Joint Institute for Nuclear Research invited scientists and other members of the computer molecular simulation community to Dubna, near Moscow, in September 2008 to share insights, mainly regarding the simulation of molecular dynamics in chemical physics and biophysical systems.
In structure, a DPD algorithm looks much like molecular dynamics (MD), where atomistic particles move according to Newton's laws.
Ab Initio Molecular Dynamics On The Phenylcarbene Rearrangement.
Previous molecular dynamics simulations on test model systems at lower bombarding energies have indicated that mass matching may be a critical factor for the effectiveness of polyatomics projectiles.
The fundamentals of transport properties were developed in chemical engineering for simple gases and liquids, based on molecular dynamics and thermodynamics.
A MODEL FOR THE HUMAN ANDROGEN RECEPTOR LIGAND BINDING DOMAIN USING MOLECULAR DYNAMICS SIMULATIONS.