DIRAC program
A Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations.
Your friendly companion for explorations across the bottom of the periodic table. For more information check out our website https://diracprogram.org/
@molecolabpisa.bsky.social
Computational Chemistry Research Group at the University of Pisa, Italy https://molecolab.dcci.unipi.it/
@titouloos.bsky.social
CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states
@marm314.bsky.social
Postdoctoral researcher @LCPQ Theoretical Chemist #compchem https://drmarm314.wordpress.com/2019/03/26/index/
@foeroyingur.bsky.social
Associate Professor at DTU Chemistry, Technical University of Denmark (DTU) where I lead a small research group doing computational chemistry. We develop, implement, and apply multiscale and fragmentation methods to study photoactive proteins.
@chemshell.bsky.social
ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.
@qchemsoftware.bsky.social
Q-Chem provides a comprehensive ab initio quantum chemistry program, allowing scientists worldwide to solve computational problems quickly and accurately. http://q-chem.com/
@valevallet.bsky.social
CNRS researcher in theoretical and computational chemistry PhLAM institute @univlille.bsky.social
@christophjacob.eu
Professor for Theoretical Chemistry at TU Braunschweig http://www.christophjacob.eu
@radovan.xyz
theoretical chemist turned research software engineer - CodeRefinery, open science, research, software, data, computing, teaching, oceanography, computational geometry, baking, occasional 8-bit stuff - he/him
@coderefinery.org
We teach all the essential tools which are usually skipped in academic education so everyone can make full use of software, computing, and data with focus on reusability, reproducibility, and openness.
@faccts.de
FACCTs is bringing the ORCA software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries. Visit us at www.faccts.de
@aspg.bsky.social
theoretical chemistry. molecular physics. and (mostly) some other stuff.
@bsky.app
official Bluesky account (check username👆) Bugs, feature requests, feedback: support@bsky.app