Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation
DOI10.1016/J.JCP.2021.110338OpenAlexW3152493561MaRDI QIDQ2124390FDOQ2124390
Authors: Dong An, Sara Y. Cheng, Teresa Head-Gordon, Lin Lin, Jianfeng Lu 
Publication date: 11 April 2022
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1904.12082
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Hamiltonian systemsingularly perturbed systemmolecular dynamicsLangevin dynamicsextended Lagrangianpolarizable force field
Stochastic analysis (60Hxx) Time-dependent statistical mechanics (dynamic and nonequilibrium) (82Cxx) Markov processes (60Jxx)
Cites Work
- Iterative Procedures for Nonlinear Integral Equations
- Geometric Numerical Integration
- On Poisson equation and diffusion approximation. II.
- Hypocoercivity
- Multiscale Methods
- Exponential Operators and Parameter Differentiation in Quantum Physics
- Title not available (Why is that?)
- Hypocoercivity for linear kinetic equations conserving mass
- On the Poisson equation and diffusion approximation. I
- Stochastic processes and applications. Diffusion processes, the Fokker-Planck and Langevin equations
- Homogenization of Hamiltonian systems with a strong constraining potential
- Electronic Structure
- Title not available (Why is that?)
- From ballistic to diffusive behavior in periodic potentials
- On the Poisson equation and diffusion approximation. III
- Hypoelliptic differential operators
- Molecular dynamics. With deterministic and stochastic numerical methods
- Title not available (Why is that?)
- Quantum dynamics via adiabatic ab initio centroid molecular dynamics
Cited In (3)
- Convergence of Stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation
- Targeted Mollified Impulse: A Multiscale Stochastic Integrator for Long Molecular Dynamics Simulations
- Incorporating surface polarization effects into large-scale coarse-grained molecular dynamics simulation
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