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Name: Scanlon Materials Theory Group
Type: Organization
Location: UCL, UK
Blog: http://davidscanlon.com
Name: Scanlon Materials Theory Group
Type: Organization
Location: UCL, UK
Blog: http://davidscanlon.com
Data assocated with On the Crystal Structure of Colloidally Prepared Metastable Ag<sub>2</sub>Se Nanocrystals
DFT optimised crystal structures of Cs2AgBiX6 Double Perovskites | DOI: 10.1021/acsenergylett.6b00471
Additonal code and plugins for working with AiiDA. VASP workflows for batteries and more.
Data for "Accelerating Cathode Material Discovery using ab initio Random Structure Searching"
Repository containing the VASP optimised structure files for Cs2AgSbBr6 and Cs2AgBiBr6 from 'Electronic Band Alignment of Antimony and Bismuth Silver Halide Double Perovskites'
DFT optimised crystal structures of BiSI and BiSeI | DOI: 10.1039/C5TA09612J
VASP relaxed structures of Cs3Bi2X9 where X=Br, I
Relaxed defect supercells of [Ta+N] and [Nb+N] codoped TiO2
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
Python API to streamline work with the Monte Carlo features of ATAT
Band structure unfolding made easy!
Gaussian and Lorentzian smearing of simulated spectra
Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations
Data for 'Understading Photocatalytic Activity of La5Ti2AgS5O7 and La5Ti2CuS5O7: Computational Insights'
DFT optimised crystal structures of LaZnOP and LaZnOAs
Data represoitory for the Li-Fe-S-O paper
DFT optimised crystal structures of MAPSI | DOI:10.1021/acs.jpclett.5b02177
Efficiency chart and desired properties graphics for ns2 solar absorbers | DOI: 10.1039/C6CC06475B
Repository of optimized defective Sb2Se3 supercells and subsequent energy data
The relaxed DFT with HSE06 functional structures of the predicted [Cu2S2][A3M2O5] structures
Defect structure-searching employing chemically-guided bond distortions
Repository for code used in singlet fission screening study
Heavyweight plotting tools for ab initio calculations
Dealing with slabs for first principles calculations of surfaces
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
DFT optimised crystal structures of Cs2SnI6 and Cs2TeI6 | DOI: 10.1021/jacs.6b03207
DFT optimised crystal structures of LaZnOP, LaZnOAs, YZnOP and YZnOAs calculated using the Vienna Ab initio Package (VASP).
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.