lennard-jones

There are 0 repository under lennard-jones topic.

• JuliaMolSim / Molly.jl

  Molecular simulation in Julia

  molecular-dynamicsjuliaprotein-structurephysics-simulationstructural-bioinformaticsmolecular-simulationlennard-jones
  Language:Julia 367

• r-aristov / simba-ps

  Fast deterministic all-Python Lennard-Jones particle simulator that utilizes Numba for GPU-accelerated computation.

  cudagpu-programminglennard-jonesnumbaparticlesphysicspygamesimulation
  Language:Python 69

• vlvovch / lennard-jones-cuda

  Molecular dynamics simulation and visualization of the Lennard-Jones system utilizing CUDA-enabled GPU's

  cudasimulationvisualizationlennard-jonesmolecular-dynamicsopengl
  Language:C++ 14

• aromanro / Scattering

  Scattering on a Lennard-Jones potential, cross-section computation.

  computational-physicsphysicswxwidgetswxwidgets-applicationsscatteringvtkvtk-applicationsschrodinger-equationschrodingernumerovlennard-jones
  Language:C++ 10

• locuoco / molecular_dynamics

  A 3D interactive program for molecular dynamics

  ewald-summationforce-fieldgraphics-programmingnose-hooveropenglphysics-simulationpppmsimulationthread-poollennard-jonesmolecular-dynamicsmolecular-dynamics-simulation
  Language:C++ 7

• tillsiebenmorgen / RS-REMD_tutorial

  This is a tutorial to perform the lennard-jones parameter scaling for rs-remd (repulsive scaling remd) simulations for the amber package.

  amberbindingdynamicsenergyfreelennard-jonesmolecularofpythonrepulsivers-remdscalingsimulationtutorial
  Language:Python 3

• zhaonat / molecular_dynamics

  exploration of MD simulations in MATLAB using the Verlet integrator

  molecular-dynamics-simulationlennard-jonesverletclassical-physics
  Language:MATLAB 3

• JMorado / NanoMC

  NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.

  diffusionlennard-jonesmonte-carlonanotubes
  Language:Fortran 2

• LalitPatidar / transpy

  Python code to generate Lennard-Jones parameters for combustion and detonation modeling

  combustionlennard-jonestransport-properties
  Language:Python 2

• vtlim / plot_potential

  Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.

  forcefieldpotentialharmoniccosinemorselennard-jonescoulomb-interactionsvdwmatplotlibmolecular-dynamicsmolecular-simulationmolecular-modelingenergy-functionscomputational-chemistrypresentation-materials
  Language:Python 2
• potprox

  Amphiluke / potprox

  Approximation of computed data with empirical pair potentials

  approximationbuckinghamlennard-jonesmorsepotentialrydberg
  Language:JavaScript 1

• ethashamahmed / molecular-dynamics-LJ

  A molecular dynamics project based on the Lennard-Jones potential

  pythonmolecular-dynamicsmolecular-dynamics-simulationphysics-simulationphysicscomputational-physicslennard-jones
  Language:Python 1

• frydaddy07 / STICS-Portfolio

  A portfolio of the work done during COMP 260 during S17 at Wesleyan University

  curvefittingfitting-algorithmcurve-fittingclusteringkmeans-clusteringmarkov-chainmarkov-modelcpg-islandsrna-sequencingprotein-structureprotein-latticelennard-jonesforce-field
  Language:Python 1

• JS-Koning / compphys_project_1

  First joint project in Python using Git. Molecular dynamic simulation of Argon atoms.

  lennard-jonesmolecular-dynamicsphysicspython
  Language:Python 1

• Mjboothaus / PhD-Thesis

  Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory

  equationfluidintegralornstein-zernikeozstructurethesiselectrolytelennard-jonesliquidchargedinterfacesurface
  Language:Jupyter Notebook 1
• gbpot

  oiao / gbpot

  Python implementation of the anisotropic Gay-Berne potential

  anisotropypotentialslennard-jonesmolecular-dynamicsliquid-crystalsgay-berne
  Language:Python 1

• SuldinVyacheslav / Inertia-MolecularDynamics

  Light program for researching molecules motion with the ability to build graphs of physical quantities.

  lennard-jonesmolecular-dynamicsmoment-of-inertiasfmlsimulationcomputational-physicscpp
  Language:CMake 1

• diegonti / MD_Simulation

  EIA Project for the Computational Modelling Master's Degree.

  fortranlennard-jonesmolecular-dynamicsmpimultiprocessingparallel-computing
  Language:Fortran 0

• UkrRobot / MolecularDynamicsMolecularSimulator

  Statistical 2D modeling by the Molecular Dynamics method allows studying equilibrium states of systems.

  2d-modelalgorithmsatomsbimandelphilennard-jonesmodellingmolecular-dynamics-simulationpascalperiodicstatisticstestvelocityverlet
  Language:Pascal 0

• j1nma / time-step-molecular-dynamics

  ⚛️ Molecular Dynamics Simulation: Lennard-Jones and Damped Harmonic Oscillator

  harmonic-oscillatorlennard-jonesmolecular-dynamics
  Language:Java

• kevinMEH / lennard-jones

  Lennard Jones system optimization using the Metropolis Hastings and Simulated Annealing algorithms.

  lennard-joneslennard-jones-potentiallennard-jones-simulationmarkov-chainmarkov-chain-monte-carlometropolis-hastingsmetropolis-hastings-algorithmmetropolis-monte-carlomonte-carlomonte-carlo-simulationsimulated-annealingsimulated-annealing-algorithm
  Language:C