Molecular Dynamics at Constant Temperature | Qijing Zheng
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation | Nature Communications
Full article: Molecular dynamics simulations on aqueous solution confined in charged nanochannels: asymmetric effect of surface charge
From molecular dynamics to hydrodynamics: A novel Galilean invariant thermostat: The Journal of Chemical Physics: Vol 122, No 11
PDF) A New Algorithm for Contact Angle Estimation in Molecular Dynamics | Sumith Yesudasan - Academia.edu
Anomalous effects of velocity rescaling algorithms: the flying ice cube effect revisited arXiv:1805.02295v2 [physics.comp-ph]
Molecular Dynamics at Constant Temperature | Qijing Zheng
The 'hidden side' of spin labeled oligonucleotides: Molecular Dynamics study focusing on the EPR-silent components of base pairing | bioRxiv
Molecular Dynamics at Constant Temperature | Qijing Zheng
Controlling Temperature – Practical considerations for Molecular Dynamics
From molecular dynamics to hydrodynamics: A novel Galilean invariant thermostat: The Journal of Chemical Physics: Vol 122, No 11
Nanomaterials | Free Full-Text | Revisiting the Rate-Dependent Mechanical Response of Typical Silicon Structures via Molecular Dynamics
Molecular Dynamics at Constant Temperature | Qijing Zheng
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
Canonical sampling through velocity rescaling
Anomalous effects of velocity rescaling algorithms: the flying ice cube effect revisited arXiv:1805.02295v2 [physics.comp-ph]
Exploring ligand binding pathways on proteins using hypersound-accelerated molecular dynamics | Nature Communications
Typical exponential response of Berendsen thermostat. Set temperature:... | Download Scientific Diagram
Removing Thermostat Distortions of Protein Dynamics in Constant-Temperature Molecular Dynamics Simulations | Journal of Chemical Theory and Computation
On the effect of the thermostat in non-equilibrium molecular dynamics simulations | SpringerLink
EMPIRE: a highly parallel semiempirical molecular orbital program: 3: Born-Oppenheimer molecular dynamics | SpringerLink
FIG. S. Velocity distribution function obtained from Nose-Hoover chain... | Download Scientific Diagram
Molecular dynamics: thermostats & barostats
Pressure control using stochastic cell rescaling: The Journal of Chemical Physics: Vol 153, No 11
