Electronic continuum model for molecular dynamics simulations (original) (raw)
Related papers
Moletronics modeling toward molecular potentials
International Journal of Quantum Chemistry, 2006
Molecular Dynamics simulations of track formation at different ensembles
Radiation Measurements, 2013
Foreword for special issue of Molecular Physics in honour of Andreas Savin
Molecular Physics, 2016
Reduced variable molecular dynamics
Journal of Computational Chemistry, 1995
Physical Review E, 2001
Membrane protein structure quality in molecular dynamics simulation
Journal of Molecular Graphics and Modelling, 2005
Molecular Modeling: Advancements and Applications
Journal of Chemistry, 2013
Single-Molecule Mechanics and Force Spectroscopy
2015
Communication: Constrained molecular dynamics for polarizable models
The Journal of Chemical Physics
Integer Interparticle Distances in Molecular Dynamics Simulation
Molecular Simulation, 1991
Non-equilibrium behavior of equilibrium reservoirs in molecular simulations
2005
A multiscale modeling technique for bridging molecular dynamics with finite element method
Journal of Computational Physics, 2013
Molecular Dynamics on FPGA Based Accelerated Processing Units
MATEC Web of Conferences, 2017
Computer graphics presentations and analysis of hydrogen bonds from molecular dynamics simulation
Journal of Molecular Graphics, 1992
Fluctuation Solution Theory Properties from Molecular Simulation
Applications in Chemistry, Chemical Engineering, and Biophysics, 2013
The workshop on future directions in modelling physical–biological interactions
Journal of Marine Systems, 2006
Analysis of different computational treatments of highly strained molecules
Chemical Physics Letters, 1989
Coupling Atomistic and Continuum Models for Multi-scale Simulations of Gas Flows
Lecture Notes in Computer Science, 2007
2004
Advances in Chemical Physics, 2007
Master Thesis Guidelines in Applied Physics
2018
Computational Continuum Mechanics of Nanoscopic Structures
Springer tracts in mechanical engineering, 2019
Well and barrier dynamics and electron transfer rates. A molecular dynamics study
Chemical Physics, 1993
A new reactive potential for the molecular dynamics simulation of liquid water
Chemical Physics Letters, 2007
Molecular Dynamics Simulations of a Nucleosome and Free DNA
Journal of Biomolecular Structure and Dynamics, 2005