Chemistry
分子动力学 (MD) 方法
Molecular Dynamics (MD) methodA computational method used to simulate the physical movements of atoms and molecules over time. / 一种用于模拟原子和分子随时间推移的物理运动的计算方法。
- Knowledge type
- 工艺技术
- First proposed or discovered
- Proposer
- Turkey Farm member
- Creator
- 农场主
- Last updated
- 2026-11-10 20:06:45
Sub-knowledge points
Atomistic simulationNewton's equations of motionStatistical mechanics
Higher-order knowledge points
Computational ChemistryMaterials Science
Main parameters and performance indicators
Force Field: Mathematical model describing interatomic interactionsTime Step: Interval between successive calculations in the simulation
Open problems
No unresolved problem recorded yet
Related literature
ranked by community starsTheoretical study to evaluate physicochemical properties of CL-20-based energetic cocrystals by molecular dynamics (MD) methodOpen source
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1 recordsRecord title: Molecular Dynamics (MD) method.
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