T.Tian's repositories
2D_dielectric
2D dielectric calculation using GPAW+ASE
py-vasp-tool
Some tools written in python for personal use of vasp
.matplotlib
My Matplotlib configuration
bulk_mater
Collection of bulk material and their dispersion spectra
Cars.com-Crawling
A python crawler for cars.com
christmas_word_cloud
Word cloud for christmas card
cuda_learn
simple projects for learning cuda
docker-texlive
A docker container containing an installation of texlive as well as several useful scripts.
dotman
A dotfile manager implemented in python
droplet_pressure
Calculating curvature pressure of droplet between parallel plates.
eccentricity_mol
Rank molecules by eccentricity, suitable for conformer search
Emacs-langtool
LanguageTool for Emacs
g09_scripts
Snippets of running Gaussian09 calculations via ASE
git-slides
Sample git slides
GPAW_learn
learning scripts for GPAW
hybrid-perovskites
DFT optimised crystal structures of inorganic and hybrid halide perovskites
lattice-generator
Simple generator for supper lattice coordinates. Useful for the molecule presentation
MasterThesisTsinghua
Master thesis in Tsinghua Univ
matplotlib-img-scatter
Useful tool to add images as scatter markers for matplotlib figures
nice_pub_figure
Example to make Matplotlib-based publication level figures
paper.gr_nanopore
Calculate the flux in graphene nanopore via comsol
paper.graphene-electrowetting
Paperwork for the publication of graphene electrowetting (Langmuir, 2017, 33 (44), pp 12827–12837)
paper.IFET
Paper for F16uPc/graphene interaface doi:10.1002/smll.201804006
paper.MOGS_QC
Publication for the field transparency of graphene quantum capacitors (Nano Lett., 2016, 16 (8), pp 5044–5052)
paper.MX2_exciton
Layer-dependent exciton energy for MX2 (Chem. Mater. 2019, 31, 24, 10049-10062)
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)
paper.ZnVO
DFT calculations on ZnVO (J. Mater. Chem. A, 2019, 7, 16109-16116)
pubfigure
To create nice publication-ready figure with arranged subfigures and labels
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.
Tian_MOGS_QC_SI
Supporting Information for repository TIAN_MOGS_QC