Pinned Repositories
2D_dielectric
2D dielectric calculation using GPAW+ASE
py-wdf-reader
Python package for read-only accessing the wdf Raman spectroscopy from Ranishaw WiRE software
SGI
Simpe Goniometer Interface powered by Python + Qt5
beautiful-atoms
Python module for drawing and rendering beautiful atoms and molecules using Blender.
SPARC
Simulation Package for Ab-initio Real-space Calculations
SPARC-X-API
vasp-interactive
alchem0x2A's Repositories
alchem0x2A/2D_dielectric
2D dielectric calculation using GPAW+ASE
alchem0x2A/.matplotlib
My Matplotlib configuration
alchem0x2A/lattice-generator
Simple generator for supper lattice coordinates. Useful for the molecule presentation
alchem0x2A/py-vasp-tool
Some tools written in python for personal use of vasp
alchem0x2A/bulk_mater
Collection of bulk material and their dispersion spectra
alchem0x2A/Cars.com-Crawling
A python crawler for cars.com
alchem0x2A/christmas_word_cloud
Word cloud for christmas card
alchem0x2A/cuda_learn
simple projects for learning cuda
alchem0x2A/docker-texlive
A docker container containing an installation of texlive as well as several useful scripts.
alchem0x2A/dotman
A dotfile manager implemented in python
alchem0x2A/droplet_pressure
Calculating curvature pressure of droplet between parallel plates.
alchem0x2A/eccentricity_mol
Rank molecules by eccentricity, suitable for conformer search
alchem0x2A/Emacs-langtool
LanguageTool for Emacs
alchem0x2A/g09_scripts
Snippets of running Gaussian09 calculations via ASE
alchem0x2A/git-slides
Sample git slides
alchem0x2A/GPAW_learn
learning scripts for GPAW
alchem0x2A/hybrid-perovskites
DFT optimised crystal structures of inorganic and hybrid halide perovskites
alchem0x2A/MasterThesisTsinghua
Master thesis in Tsinghua Univ
alchem0x2A/matplotlib-img-scatter
Useful tool to add images as scatter markers for matplotlib figures
alchem0x2A/nice_pub_figure
Example to make Matplotlib-based publication level figures
alchem0x2A/paper.gr_nanopore
Calculate the flux in graphene nanopore via comsol
alchem0x2A/paper.graphene-electrowetting
Paperwork for the publication of graphene electrowetting (Langmuir, 2017, 33 (44), pp 12827–12837)
alchem0x2A/paper.IFET
Paper for F16uPc/graphene interaface doi:10.1002/smll.201804006
alchem0x2A/paper.MOGS_QC
Publication for the field transparency of graphene quantum capacitors (Nano Lett., 2016, 16 (8), pp 5044–5052)
alchem0x2A/paper.MX2_exciton
Layer-dependent exciton energy for MX2 (Chem. Mater. 2019, 31, 24, 10049-10062)
alchem0x2A/paper.rev-epitaxy-2D
Review paper for Ind. Eng. Chem. Res. for epitaxy on 2D materials. (Ind. Eng. Chem. Res., 2017, 56 (38), pp 10552–10581)
alchem0x2A/paper.ZnVO
DFT calculations on ZnVO (J. Mater. Chem. A, 2019, 7, 16109-16116)
alchem0x2A/pubfigure
To create nice publication-ready figure with arranged subfigures and labels
alchem0x2A/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
alchem0x2A/Tian_MOGS_QC_SI
Supporting Information for repository TIAN_MOGS_QC