Computational¶
Thang's Note¶
- Computational Mechanics & Multiscale methods Notebook
- Modelling with DFT Notebook
- Modelling with MD Notebook
- Thang Note for ML Notebook
- Learn code Notebook
Methods¶
Multiscale¶
- Lecture Multiscale Methods in Computational Mechanics Notebook
DFT¶
-
Modeling materials using density functional theory html, pdf
-
Computational Chemistry from Laptop to HPC - eChem team Notebook
- Quantum Mechanics- G.Auletta Notebook
- Quantum Mechanics for Scientists and Engineers - David A. B. Miller pdf
MD¶
- Understanding Molecular Simulation - D. Frenkel pdf
-
Molecular Modelling: Priciples and Applications - pdf
-
Theory and Modeling of Polymer Nanocomposites - pdf
- computer-aided drug design (CADD) - html
Enhanced Sampling¶
- Enhanced sampling methods for molecular dynamics simulations - pdf
- Hands-on tutorials: Advanced sampling methods using GROMACS - html
FEM¶
- Introduction FEM - Lecture note pdf
- A first Course in Finite Elements - J. Fish pdf
- An Indtroduction to The Finite Element Method - J.N. Reddy pdf
- Computational Mechanics - Notebook, Github