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A group dedicated to everything about theoretical and computational/quantum chemistry.
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The latest Messages 8
2022-05-17 15:23:06
QuantumVITAS (Quantum Visualization Interacting Toolkit for Ab-initio Simulations) is a software aiming at bringing user friendly graphical user interface to quantum chemistry software. In the current stage Quantum ESPRESSO is the calculation engine.
https://www.quantumvitas.org/
(Thanks to D K Raman for the suggestion)
232 views12:23
2022-05-16 21:22:16
Join my lab in Vienna!
We have one vacant PhD position starting June or later.
If you bring in a background in Biochemistry/Biotechnology, please apply via email.
Funding available for 4 y.
Deadline 31.05.2022
Please check: https://mdt.univie.ac.at
260 views18:22
2022-05-16 20:21:04
Atomic and Electronic Structure of Solids
257 views17:21
2022-05-15 17:06:08
It is time to update your Periodic Table! #IUPAC has just released a new Periodic Table https://iupac.org/what-we-do/periodic-table-of-elements/ with the revised standard atomic weights and/or the uncertainties of fourteen elements. https://degruyter.com/document/doi/10.1515/pac-2019-0603/pdf
566 views14:06
2022-05-13 18:56:11
Psi4 is an open-source first-class computational chemistry package that is built with Python bindings. The great part is that it can even work from the Jupyter Notebook. Here is a way for you to run Psi4 using the free Google Colab (yes, that gives you a lot of computational power for free!):
https://colab.research.google.com/drive/1Z5DWnToMWiKIM9k8fi3ux-GtrWYlQ5nw?usp=sharing
136 views15:56
2022-05-13 04:04:28
As much pressure as Uranus' core: The first materials synthesis research and study in the terapascal range
https://phys.org/news/2022-05-pressure-uranus-core-materials-synthesis.html
180 views01:04
2022-05-10 13:30:09
Energy researchers invent chameleon metal that acts like many others
https://phys.org/news/2022-05-energy-chameleon-metal.html
252 views10:30
2022-05-10 13:13:27
Crystal study may resolve DNA mystery
https://phys.org/news/2022-05-crystal-dna-mystery.html
241 views10:13
2022-05-09 23:44:57
“Visualizing the Proton” – Physicists’ Innovative Animation Depicts the Subatomic World in a New Way
https://scitechdaily.com/visualizing-the-proton-physicists-innovative-animation-depicts-the-subatomic-world-in-a-new-way/
263 views20:44
2022-05-09 14:16:38
262 views11:16
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