The Computational Chemist
@TheComputationalChemist
15:43
Metadynamics (introduction) | A history dependent non-Boltzmann sampling technique | MD
The Computational Chemist
Shared 15/09/2021
27:06
FSDAM vDSSB Non Equilibrium Binding Free Energy | Alchemical Transformations | Protein Ligand System
The Computational Chemist
Shared 14/05/2021
12:18
Non Boltzmann sampling Molecular Dynamics MD & Monte Carlo MC
The Computational Chemist
Shared 02/05/2021
02:38
Landau Free Energy (quick and dirty introduction) | Molecular simulations MD MC
The Computational Chemist
Shared 25/04/2021
13:05
Non equilibrium transformations | Crooks & Jarzynski theorem for free energy calculations | MD
The Computational Chemist
Shared 18/04/2021
08:19
Alchemical Transformations (introduction) | Free energy estimates | Molecular Dynamics MD
The Computational Chemist
Shared 22/03/2021
17:36
Replica Exchange Method REM | Parallel Tempering | TREM HREM
The Computational Chemist
Shared 14/02/2021
21:24
Ewald Method | PME PPPME SPME | Molecular Dynamics MD | Molecular Monte Carlo MC
The Computational Chemist
Shared 08/02/2021
08:14
Periodic Boundary Conditions PBC for Molecular Dynamics MD & Molecular Monte Carlo MC
The Computational Chemist
Shared 31/01/2021
14:28
Multi time step algorithms with the Liouville formalism for molecular dynamics
The Computational Chemist
Shared 24/01/2021
13:52
Liouville Formalism for Molecular Dynamics MD | Molecular Simulations
The Computational Chemist
Shared 18/01/2021
16:34
MD time propagation algorithm & Velocity Verlet | Molecular simulations
The Computational Chemist
Shared 27/12/2020
11:40
Molecular Dynamics MD (introduction) | Molecular simulations
The Computational Chemist
Shared 20/12/2020
19:43
Markov Chain Monte Carlo ( Metropolis Monte Carlo & Barker Monte Carlo ) for molecular simulations
The Computational Chemist
Shared 13/12/2020
15:07
Monte Carlo techniques (introduction) | Random sampling & Importance sampling
The Computational Chemist
Shared 06/12/2020
09:23
Introduction to Force Fields FF for Molecular Dynamics and Monte Carlo
The Computational Chemist
Shared 29/11/2020
13:18
Atom modeling for molecular simulations | Lennard-Jones & Coulomb potentials | MD MC
The Computational Chemist
Shared 22/11/2020
08:20
Molecular simulations (introduction) Molecular dynamics MD Monte carlo MC
The Computational Chemist
Shared 15/11/2020
08:44
Compiler flags for code optimization for portable and fast code | Scientific computing & HPC
The Computational Chemist
Shared 08/11/2020
12:15
HPC cluster architecture & OpenMP vs MPI for HPC clusters and supercalculus
The Computational Chemist
Shared 01/11/2020
04:56
Computer memory #2 Lists vs Vectors memory usage | Scientific computing & HPC
The Computational Chemist
Shared 26/10/2020
18:30
Computer memory #1 Cache optimization and fast matrix iteration | Scientific computing & HPC
The Computational Chemist
Shared 19/10/2020
01:58
The Computational Chemist | Channel Introduction and Overview
The Computational Chemist
Shared 03/07/2020
12:15
Hamiltonian Formalism (Introduction) | #4 Analytical Mechanics for Chemistry
The Computational Chemist
Shared 20/06/2020
14:09
2 Body Problem | #9 Analytical Mechanics for Chemistry
The Computational Chemist
Shared 20/06/2020
04:11
Liouville Theorem | #7 Analytical Mechanics for Chemistry
The Computational Chemist
Shared 20/06/2020
05:11
Small Oscillations 3 Dumped Oscillator | #13 Analytical Mechanics for Chemistry
The Computational Chemist
Shared 20/06/2020
11:18
Small Oscillations 1 | #11 Analytical Mechanics for Chemistry
The Computational Chemist
Shared 20/06/2020
02:57
Small Oscillations 4 Parametric Resonance | #14 Analytical Mechanics for Chemistry
The Computational Chemist
Shared 20/06/2020
05:18
Poisson Brackets | #5 Analytical Mechanics for Chemistry
The Computational Chemist
Shared 20/06/2020