Thermostats and thermostat strategies for molecular dynamics simulations of nanofluidics: The Journal of Chemical Physics: Vol 138, No 8
Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations | Journal of Chemical Theory and Computation
Thermostat Algorithms for Molecular Dynamics Simulations
Extraction of Dielectric Permittivity from Atomistic Molecular Dynamics Simulations and Microwave Measurements | The Journal of Physical Chemistry B
Molecular Dynamics Simulation of the n-Octacosane–Water Mixture Confined in Graphene Mesopores: Comparison of Atomistic and Coarse-Grained Calculations and the Effect of Catalyst Nanoparticle | Energy & Fuels
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Molecular Dynamics: Integrators for eqs. of motion
Histogram of the kinetic energy for chloroform (left) and water (right)... | Download Scientific Diagram
Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation | Scientific Reports
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Explicit-Solvent Molecular Dynamics Simulations of the Polysaccharide Schizophyllan in Water: Biophysical Journal
Force field development and adaptive resolution methods for molecular dynamics simulations
Thermostat Algorithms for Molecular Dynamics Simulations | SpringerLink
Molecular Dynamics at Constant Temperature | Qijing Zheng
Qualitative Estimation of Protein–Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations | Journal of Chemical Information and Modeling
Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
arXiv:2112.07068v4 [stat.ML] 25 Mar 2022
Thermostat Algorithms for Molecular Dynamics Simulations
Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm: The Journal of Chemical Physics: Vol 127, No 18
Enhanced Sampling of Molecular Dynamics Simulations of a Polyalanine Octapeptide: Effects of the Periodic Boundary Conditions on Peptide Conformation | The Journal of Physical Chemistry B
Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics | The Journal of Physical Chemistry A
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning | Journal of Chemical Theory and Computation
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
