TUT Physics

TALLINN UNIVERSITY OF TECHNOLOGY
INSTITUTE OF CYBERNETICS
Physics department

Some additional materials

Programs
- Simple Ising model (by using javascript+p5.js)
- 3d visualization (by using xeogl)

Numerical solutions for ODE

Programs that can be used to visualize results of experiments and calculations (free software only)

Grace: for unix systems

Grace: for Windows

FITYK: program for data processing and nonlinear curve fitting.

Software for calculating material properties with ab initio methods

VASP commercial

Castep free for academic use

Quantum Espresso free

Wien2k commercial

Conquest: large-scale free

Big DFT: large-scale free

Software for calculating harmonic and anharmonic phonons

PHONOPY phonons and thermodynamic parameters, free

ALAMODE anharmonic effects, free

SCPH anharmonic effects, free

Programs for molecular dynamics calculations

Amber commercial

CHARMM commercial

TINKER free for academic use

potfit program to generate force-field files from ab initio calculatiins, free software.

Some usefull databases

Bilbao Crystallographic Server everything about symmetry properties

AFLOW usefull data about different materials

Crystallography open database crystals structure description

Materialscloud some usefull links and tools

Materials project here represented the results of the theoretical calculation of the

physical properties of many materials using the VASP program

American Mineralogist Crystal Structure Database