Link¶

AdvanceSoft Corporation: https://www.advancesoft.jp/

Advance/NanoLabo¶

Advance/NanoLabo homepage: https://www.nanolabo.advancesoft.jp/en/
Analysis cases: http://case.advancesoft.jp/NanoLabo/
Product introduction videos list: https://www.youtube.com/playlist?list=PLbypViQv43hxxSwnYsUS8PNlAGpAjLE7J

Advance/NeuralMD¶

Advance/NeuralMD homepage: https://www.nanolabo.advancesoft.jp/en/neuralmd/
Manual: https://neuralmd-doc.readthedocs.io/en/latest/
Analysis cases: http://case.advancesoft.jp/NeuralMD/
Force field database: https://www.nanolabo.advancesoft.jp/forcefield/

Advance/PHASE¶

Advance/PHASE homepage: https://www.advancesoft.jp/products/nano/advance-phase/

Quantum ESPRESSO¶

Quantum ESPRESSO homepage

https://www.quantum-espresso.org/

Pseudo potential

http://pseudopotentials.quantum-espresso.org/

http://pseudopotentials.quantum-espresso.org/legacy_tables/

‘pw.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_PW.html

‘pp.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_PP.html

‘dos.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_DOS.html

‘projwfc.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html

‘band.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_BANDS.html

‘cp.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_CP.html

‘turbo_lanczos.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_Lanczos.html

‘turbo_eels.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_EELS.html

‘turbo_spectrum.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_Spectrum.html

‘ph.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_PH.html

‘q2r.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_Q2R.html

‘dynmat.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_DYNMAT.html

‘matdyn.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_MATDYN.html

‘neb.x’ manual

https://www.quantum-espresso.org/Doc/INPUT_NEB.html

Source code of Quantum ESPRESSO modified by AdvanceSoft

https://github.com/advancesoftcorp/espresso

LAMMPS¶

LAMMPS homepage: https://www.lammps.org/
Manual: https://docs.lammps.org/Manual.html
Source code of LAMMPS modified by AdvanceSoft: https://github.com/advancesoftcorp/lammps

Open Catalyst Project¶

Open Catalyst Project homepage: https://opencatalystproject.org/
Git repository: https://github.com/Open-Catalyst-Project/ocp

M3GNet¶

Original version¶

M3GNet document: https://materialsvirtuallab.github.io/m3gnet/
Git repository: https://github.com/materialsvirtuallab/m3gnet

MatGL version¶

MatGL document: https://matgl.ai/
Git repository: https://github.com/materialsvirtuallab/matgl

CHGNet¶

CHGNet document: https://chgnet.lbl.gov/
Git repository: https://github.com/CederGroupHub/chgnet

Simple DFT-D3¶

Simple DFT-D3 document: https://dftd3.readthedocs.io/en/latest/
Git repository: https://github.com/dftd3/simple-dftd3

SevenNet¶

Git repository: https://github.com/MDIL-SNU/SevenNet

ThreeBodyTB¶

ThreeBodyTB document: https://pages.nist.gov/ThreeBodyTB.jl/
Git repository: https://github.com/usnistgov/ThreeBodyTB.jl

Materials database¶

Materials Project: https://materialsproject.org/
PubChem: https://pubchem.ncbi.nlm.nih.gov/

Matlantis¶

Matlantis™ homepage: https://matlantis.com/