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Simon Gravelle @UCLmK_9wpyLVpcP7BPgN6BIw@youtube.com

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Videos of molecular simulations, mostly done with LAMMPS and


00:21
GROMACS tutorials for absolute beginners: water, Na, and SO4 ions
00:34
Water molecules in a polymer
00:57
LAMMPS tutorials | Nanosheared electrolyte | System preparation
00:23
LAMMPS tutorials | Polymer in water | Stretching the PEG molecule
00:34
LAMMPS tutorials | Polymer in water | The PEG molecule (in vacuum)
00:27
LAMMPS tutorials | Exercise | Insert gas in the carbon nanotube
00:16
LAMMPS tutorials | VMD tutorial | Practical example
00:20
LAMMPS tutorials | Pulling on a carbon nanotube | Breakable bonds
00:11
LAMMPS tutorials | Pulling on a carbon nanotube | Unbreakable bonds
00:19
LAMMPS tutorials | Lennard-Jones fluid | My first input
00:17
LAMMPS tutorials | Exercise | From atoms to molecules: Dumbbell
00:17
LAMMPS tutorials | Exercise | From atoms to molecules: Polymer
00:18
Graphene deforms like a blanket - molecular art with script
00:41
Fullerene filled with water colliding with empty fullerene - molecular art with script
00:10
Kekulene molecule: 12 benzene rings arranged in a circle - molecular art with script
00:24
Water molecules trapped in a C60 fullerene - molecular art with script
00:16
Simple molecular dynamics with LAMMPS and visualization with VMD - molecular art with script
00:12
LAMMPS tutorial : Reactive silicon dioxide | reaxff
00:15
Polymer in water - simple mixture | LAMMPS input script
00:36
How-to LAMMPS : Pulling a polymer in water
00:27
The very basics of GROMACS through a simple tutorial: a bulk solution of SO42- and Na+
00:24
LAMMPS tutorial (Exercice 2): Electrolyte confined between thermalised walls
01:24
Molecular dynamics : twisted bilayer graphene returns to equilibrium
00:50
Molecular dynamics simulation of osmosis through a porous membrane
02:47
Pouring granular using LAMMPS
00:38
LAMMPS Tutorials animated logo
01:53
NMRforMD - a new Python library for measuring NMR relaxation times from simulations
00:53
PEGgenerator script for GROMACS and LAMMPS | Create all-atom polymer chain using Python
01:21
Interaction between a molecule and a crystal | molecular dynamics simulation with script
01:47
Atoms rearrangement of NaCl crystal under compression | Molecular dynamics | LAMMPS
01:24
PEG molecule in vacuum | GROMACS simulation with script
02:47
Thermally activated motion of water molecules adsorbed at a NaCl crystal surface (with script)
01:57
The relaxing dance of CO2 in a polymer
01:27
Graphene oxide nanoparticles in bulk water | Molecular dynamics
00:28
Generate high resolution images and videos from molecular dynamics simulation with VMD
00:28
Free energy profile for a Graphene Oxide nanoparticle at the water-vapour interface | MD script
00:30
Bank of Graphene Oxide nanoparticles for molecular dynamics simulations
00:45
Simple molecular dynamics: the Lennard-Jones binary gas | LAMMPS tutorials
00:17
Crack propagation in amorphous silica using molecular dynamics | LAMMPS tutorial
00:17
Water molecules in a large carbon nanotube | Molecular simulation with script
00:07
Energy minimisation of nanoconfined electrolyte: | LAMMPS step-by-step tutorial
01:24
Molecular dynamics tutorial | Lennard-Jones binary gas | Energy minimisation | NVT ensemble | LAMMPS
00:17
Plug like motion of water in between two graphene walls | LAMMPS with script
01:21
Generation of amorphous carbon structure using the liquid quench method | LAMMPS with reaxff
00:36
Deformation of Silicon Carbide (SiC) using molecular dynamics | LAMMPS script | tutorial
00:21
Clustering of graphene nanoparticles in water
00:59
Dynamic formation and breakup of small clusters of graphene nanoparticles in shear flow
01:25
Adsorption and diffusion create pink noise in nanopore
00:46
The abnormal behaviour of graphene nanoparticle in shear flow
00:35
Melting of a cube of gold metal using the embedded atom method (eam) force field
01:06
Molecular dynamics simulation of NaCl dissolution in water
01:31
Impact of a gold liquid droplet on a solid metal at two different velocities
00:07
LAMMPS tutorial. Radial diffusion in 2D: energy minimisation
00:20
LAMMPS tutorial. 2D Lennard Jones fluid, bonus exercise: flow of 2D binary fluid
00:34
LAMMPS tutorial. Modelling of a nanoconfined electrolyte using all-atom molecular dynamics
00:04
LAMMPS tutorial. Nanoconfined electrolyte, molecular dynamics simulation of water, salt, and walls
00:34
LAMMPS tutorial. Capillary filling in a disordered porous medium
00:30
LAMMPS tutorial. Radial diffusion in 2D, simple molecular dynamics simulation
00:07
LAMMPS tutorial. 2D Lennard Jones fluid, simple molecular dynamics for absolute beginner
00:16
Graphene oxide nanoparticle in interaction with water (molecular dynamics simulation with script)