Blogs

Beginner's Guidance for AWS EC2 (Amazon Cloud Service)

High-throughput Computational Modeling Toolkits

Poster - 2022 AIChE - Computational and AI-Guided Catalyst Design for Energy & Sustainability

Compile VASPsol codes into VASP

Fix Gaussian Error Messages (Continuous update)

Transition State search using CI-NEB by VASP-VTST

Generate Quasirandom Doping Structure with MCSQS method implemented by ATAT

Tutorial on installing Alamode on a Linux machine

An easy way to draw core-shell structures using PPT

Upcoming:

Installation and Usage of Jmol (an open-source Java viewer for chemical structures in 3D)

Installation and Usage of SISSO (sure independence screening and sparsifying operator)