The Langevin/implicit-Euler/normal-mode scheme for molecular dynamics at large time steps

Chemical Compounds

• Normal Modes 100%
• Molecular Dynamics 63%
• Langevin Equation 37%
• Fokker-Planck Equation 20%
• Vibrational Spectrum 10%
• Velocity 9%
• Displacement 8%
• Force 7%
• Energy 5%

Physics & Astronomy

• molecular dynamics 62%
• low frequencies 16%
• approximation 12%
• simulation 12%
• equipartition theorem 11%
• formulations 10%
• nucleic acids 10%
• Fokker-Planck equation 9%
• numerical integration 8%
• emerging 7%
• oscillators 5%
• intervals 5%
• performance 3%
• energy 2%