Search for "Molecular dynamics" in article titles:

1. Molecular dynamics: Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the ... (Computer simulations to discover and understand chemical properties) [100%] 2023-12-31 [Molecular dynamics] [Computational chemistry]...
2. Molecular dynamics: Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the ... (Physics) [100%] 2022-09-26 [Molecular dynamics] [Computational chemistry]...
3. Visual Molecular Dynamics: Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. VMD is developed mainly as a tool to view and analyze the results of molecular dynamics simulations. (Software) [81%] 2024-01-03 [Molecular modelling software]
4. SHARC molecular dynamics software: SHARC (Surface Hopping including ARbitrary Couplings) is an ab initio molecular dynamics program suite primarily dedicated to study the excited-state dynamics of molecules. It is free for academic use, open source released under the GNU General Public License. (Software) [70%] 2023-10-29 [Molecular dynamics software]
5. Car–Parrinello molecular dynamics: Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics (also known as the Car–Parrinello method) or the computational chemistry software package used to implement this method. The CPMD method is one of the ... [70%] 2023-01-21 [Density functional theory] [Density functional theory software]...
6. Car–Parrinello molecular dynamics: Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics (also known as the Car–Parrinello method) or the computational chemistry software package used to implement this method. The CPMD method is related to the ... (Physics) [70%] 2022-05-24 [Density functional theory] [Density functional theory software]...
7. SHARC molecular dynamics software: SHARC (Surface Hopping including ARbitrary Couplings) is an ab initio molecular dynamics program suite primarily dedicated to study the excited-state dynamics of molecules. It is free for academic use, open source released under the GNU General Public License. [70%] 2023-10-28 [Molecular dynamics software] [science software]...
8. Path integral molecular dynamics: Path integral molecular dynamics (PIMD) is a method of incorporating quantum mechanics into molecular dynamics simulations using Feynman path integrals. In PIMD, one uses the Born–Oppenheimer approximation to separate the wavefunction into a nuclear part and an electronic part. (Molecular dynamics simulations augmented with quantum mechanics) [70%] 2024-08-25 [Molecular dynamics] [Quantum chemistry]...