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Adrian Roman's Projects

apw icon apw

Augmented Plane Waves (both APW and LAPW), band structure computation

complotkavolterra icon complotkavolterra

Competitive Lotka–Volterra equations, solved using Runge-Kutta methods. Four dimensional system.

dftatom icon dftatom

Density Functional Theory in real space, for atoms, LDA and LSDA

dftquantumdot icon dftquantumdot

Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

dmrg icon dmrg

A simple Density Matrix Renormalization Group program

electricfield icon electricfield

Electric field lines and equipotentials using Runge-Kutta methods, including adaptive ones

eventmoleculardynamics icon eventmoleculardynamics

A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying

hartreefock icon hartreefock

A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

isingmontecarlo icon isingmontecarlo

A program implementing Metropolis Monte Carlo for the 2D square-lattice Ising model and the spin block renormalization

kkr icon kkr

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

nmri icon nmri

2D Fourier Transform of Nuclear Magnetic Resonance Imaging raw data

nrg icon nrg

A simple program implementing the numerical renormalization group

poisson icon poisson

Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects

pythoncompphys icon pythoncompphys

Some python workbooks with various topics from Computational Physics

qcsim icon qcsim

Quantum computing simulator

scattering icon scattering

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

solarsystem icon solarsystem

A solar system simulator with Verlet, using OpenGL for displaying.

tebd icon tebd

A simple Time Evolving Block Decimation program

tightbinding icon tightbinding

Semi-empirical tight-binding computation of the electronic structure of semiconductors

vqmcmolecule icon vqmcmolecule

Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach

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