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  • 🌱 I'm a PhD student at Univerisity of Manchester
  • 📫 [email protected] or [email protected]
  • My PhD project focus on membrane-based separation/purification using MOFs. I also do structural analysis using Rietveld refinement as a tool to understand the host-guest interaction within gas/substrate-loaded MOFs.

MH1993's Projects

atomsk icon atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

cp2k_editor icon cp2k_editor

CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input file used in CP2K.

lammps_interface icon lammps_interface

automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs

poreblazer icon poreblazer

PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from the CSD MOF.

raspa2 icon raspa2

Classical molecular simulation code

topas_v5_cif_cleaner icon topas_v5_cif_cleaner

This repo aims at cleaning unreasonable/irrelevant output lines by the defacult macro "Out_CIF" in TOPAS V5.0 for passing the CHECKCIF.

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