Storion Lab knowledgebase

1. Magnus cluster Wiki
2. Razor workstations
3. Jupyter Notebook server
4. Apache Web-server
5. Synology data storage
6. Windows 7 server
7. Our vpn server in Amsterdam

1. Arcuda
2. Pardus

1. Getting started with cluster
2. Getting started with VASP using terminal
3. Getting started with SIMAN

• Matsolver (Wiki)
• SIMAN (Wiki) (a set of Python tools for high-througput DFT calculations and their analysis)
• GB (C++ tool for construction of grain boundaries in metals)
• Diffraction (C++ and Fortran tool for constructing theorectical electronogramms of crystal structures)

• BVlain. Python tool for making bond valence analysis in crystal structures and determine percolation barriers of ionic conduction
• Ions. Python library made for studying percolation in ionic crystals

• Atomsk - a set of tools for structure manipulation useful in DFT calculations
• UniMoVib A unified interface for molecular harmonic vibrational frequency calculations. (Vibrational analysis, partial hessian)

• VASP
• LAMMPS
• NEMO5 - electronic transport
• Gaussian
• Orca
• quanty - learn QM

• Jmol
• VESTA
• OVITO
• Avogadro

• Density functional theory
• Hubbard correction
• Elastic constants
• Surface energies
• SOC
• Transition metal oxides: Hubbard model, Jahn Teller, Spin-orbit coupling
• Phonons
• Li-ion Descriptors

• Working with pdf
• Working with text

• SLURM
• Torque

• Matplotlib
• Mendeleev table python
• How to setup Jupyter Notebook on Ubuntu

* Our github help

• How to calculate the volume of a void
• How to construct a phase diagram
• How to create a supercell with interface
• How to create a grain boundary
• How to perform a calculation with implicit solvent

• MaterialsProject
• Crystalium An Exploration of the Grain Boundaries, Surfaces, and Wulff shapes of the Elements by materialsvirtuallab
• Bandgap - Database on forbidden zones of solids
• Bandgap database Tools for extracting bandgap information from scientific documents and generating a database using ChemDataExtractor.
• Shannon radii
• Cohesive energy of elements
• Energetic properties of elements
• Bilbao Crystallographic Server
• Pauling file phase diagrams + crystal structures + physical properties together in the world largest database for inorganic compounds
• The Open Quantum Materials Database (OQMD) - The OQMD is a database of DFT calculated thermodynamic and structural properties of 1,022,603 materials, created in Chris Wolverton's group at Northwestern University.

* https://matsci.org/

• Energy Units Converter
• Chemical potential calculator
• Crystallographic calculator

• Increase quality of image using Deep Convolutional Neural Networks waifu2x
• Get points from graphWebPlotDigitizer App Project Webpage
• Get wonderfull colors for your plotPallete generator
• Convert color formatRGBA2HEX

• Glossary of Common Terms and Abbreviations in Quantum Chemistry

• Sci Journal Club - Community in Telegram for sharing sci papers (write DOI - someone who has access send you a pdf)

Li-ion batteries:

1. Handbook of Battery Materials, Edited by Claus Daniel and Jürgen O. Besenhard
2. Lithium Batteries Science and Technology. Edited by Gholam-Abbas Nazri, Gianfranco Pistoia

Battery topics:

1. Aksyonov, D. A., Boev, A. O., Fedotov, S. S., & Abakumov, A. M. (2023). Computational insights into ionic conductivity of transition metal electrode materials for metal-ion batteries-A review. Solid State Ionics, 393, 116170.
2. Aksyonov, D. A., & Nikitina, V. A. (2021). Charge transfer through interfaces in metal-ion intercalation systems.

https://www.nature.com/scitable/ebooks/english-communication-for-scientists-14053993/contents/

Karsten Albe https://www.mawi.tu-darmstadt.de/mm/home_mm/index.en.jsp

Shyue Ping Ong https://materialsvirtuallab.org/

Ceder https://ceder.berkeley.edu/

Persson https://perssongroup.lbl.gov/

Oganov https://uspex-team.org/en

Anubhav Jain https://hackingmaterials.lbl.gov/