scientific article; zbMATH DE number 1405381

zbMATH Open0938.65150MaRDI QIDQ4938348FDOQ4938348

Authors: Robert D. Skeel 

Publication date: 23 February 2000

Title of this publication is not available (Why is that?)

Recommendations

• scientific article; zbMATH DE number 956623
• Energy-momentum conserving integration schemes for molecular dynamics
• Dynamical models of molecular chains and efficient integration algorithms
• New integrator for molecular dynamics simulations
• Higher-order symplectic integration techniques for molecular dynamics problems
• INTEGRAL EQUATION METHODS FOR MOLECULAR SCALE CALCULATIONS IN THE LIQUID PHASE
• Multiscale molecular dynamics using the matched interface and boundary method
• scientific article; zbMATH DE number 1059174
• scientific article; zbMATH DE number 1595181

zbMATH Keywords

operator splittingHamiltonian systemsstochastic differential equationsmolecular dynamicsintegration schemesmultiple time steppingpost processing

Mathematics Subject Classification ID

Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15)

Cited In (18)

• Implementation of isotension ensemble in molecular dynamics
• Optimal tuning of the hybrid Monte Carlo algorithm
• Theoretical and numerical comparison of some sampling methods for molecular dynamics
• Higher-order symplectic integration techniques for molecular dynamics problems
• Molecular dynamic simulations of gases using a split-Hamiltonian method
• Data-driven structure-preserving model reduction for stochastic Hamiltonian systems
• Title not available (Why is that?)
• Title not available (Why is that?)
• A semi-analytical approach to molecular dynamics
• A survey of shadowing methods for numerical solutions of ordinary differential equations
• Computing ergodic limits for Langevin equations
• Mathscape and molecular integrals
• Efficient molecular dynamics using geodesic integration and solvent-solute splitting
• Title not available (Why is that?)
• A fast mollified impulse method for biomolecular atomistic simulations
• Adaptive multi-stage integrators for optimal energy conservation in molecular simulations
• Palindromic 3-stage splitting integrators, a roadmap
• Energy-momentum conserving integration schemes for molecular dynamics

Uses Software

• NAMD

This page was built for publication:

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q4938348)