Repositories list

• DMD_development

  Public
  Density matrix dynamics based on JDFTx

  C++

  •1•0•0•0•Updated Oct 15, 2024Oct 15, 2024

• 2024-BiFeO3-Data

  Public
  0•0•0•0•Updated Jun 28, 2024Jun 28, 2024

• random-walk-polaron-mobility

  Public
  Random walk simulation of polaron hopping via kinetic monte carlo sampling

  monte-carlofirst-principlesrandom-walk+ 1polaron

  C++

  •0•0•0•0•Updated Jun 26, 2024Jun 26, 2024

• NonRad

  Public
  This code computes the nonradiative recombination at defect centers from first-principles

  first-principlesrecombinationnonradiative

  Python

  •1•3•1•0•Updated Jun 26, 2024Jun 26, 2024

• denmat_dynm_development

  Public
  Density matrix dynamics based on JDFTx

  C++

  •1•2•1•0•Updated May 13, 2024May 13, 2024

• Tutorials

  Public
  General assortment of useful tutorials for first-principles calculations

  first-principlestutorials

  Python

  •0•2•0•0•Updated May 12, 2024May 12, 2024

• PL-lineshape-code

  Public
  First principles photoluminescence code repository

  first-principlesphotoluminescence

  Python

  •2•1•1•0•Updated Feb 19, 2024Feb 19, 2024

• Data-NC-spin-2023

  Public
  this is the data set for Nature Communication paper in 2023

  0•0•0•0•Updated Oct 10, 2023Oct 10, 2023

• zfs-code

  Public
  Zero Field Splitting Code Repository

  first-principleszero-field-splitting

  Fortran

  •1•2•0•0•Updated Aug 30, 2023Aug 30, 2023