Computational and Quantum Chemistry – Telegram
Computational and Quantum Chemistry
4K subscribers
48 photos
100 videos
177 files
1.6K links
A group dedicated to everything about theoretical and computational/quantum chemistry.
Please, write in English only. Keep on-topic. Be respectful always.
Download Telegram
PhD positions at University of South Carolina
Two PhD positions in computational materials science for quantum applications are available in the group of Dr. Sai Mu in the Department of Physics and Astronomy at University of South Carolina. The positions are available in Fall 2023. Research is focused on the first-principles calculations to understand the fundamental properties (electronic, magnetic, vibrational, transport properties) of advanced quantum materials towards applications in quantum information, energy conversion and information processing.

Desired qualifications:
Highly motivated students who have research interests and background in condensed matter physics and computational materials science are encouraged to apply. Candidate should have good communication skills and be able to work in a team. Any research experience with first-principles calculations is highly desirable.

How to apply:
Information about the PhD program in the department of Physics and Astronomy at University of South Carolina and how to apply can be found on the following website: https://sc.edu/study/colleges_schools/graduate_school/apply/degree_programs-application-requirements/physics-phd/index.php. The deadline of the application is flexible. If interested, please submit the application and email Dr. Mu (mus@mailbox.sc.edu) with your CV and a brief summary of your research experience and interests.
Single-Figure Presentation (SFP) submission for the next Virtual Winter School on Computational Chemistry is now open! The deadline is 30.01.2023. We are looking forward to seeing your work! #compchem #CompChemVirtual
https://winterschool.cc/
👍1
Should automatic AI text-generator tools like ChatGPT be allowed in scientific writing?
Anonymous Poll
30%
No
39%
Yes
31%
Yes, since explicitly credited
Professor Dr. Rodolfo Goetze Fiorot from Universidade Federal Fluminense (Rio de Janeiro/Brazil) is recruiting a researcher, with a PhD for a maximum of 7 years, to submit a new FAPERJ project in theoretical chemistry for reaction mechanisms. The deadline is January 26th and interested parties should write to rodolfofiorot@id.uff.br.
👍5
Conquest v1.1 released

We are very pleased to announce the release of v1.1 of CONQUEST, a large-scale and linear scaling DFT code, capable of modelling thousands of atoms with exact diagonalisation and millions of atoms with linear scaling. This is the first full release of CONQUEST, featuring a significant number of changes:

* Reworking output completely for clarity and concision
* Implementation of the stabilised quasi-Newton method (SQNM) for robust, efficient structural optimisation
* Compatibility with LibXC v5 and ASE
* Implementation of spin polarisation for multi-site orbitals
* Updates to pseudopotential and pseudo-atomic orbital (PAO) generation and defaults for better accuracy and robustness
* Post-processing tools for DOS, charge density and STM image simulation (VESTA, Gaussian, VMD compatible)
* Identified and fixed many bugs

CONQUEST is freely available under an MIT licence. It runs well on a wide range of hardware, from laptops to HPC centres, and we encourage the community to use the code widely. Interested developers are always welcome to join the team - please contact one of us for more in-depth discussion.

CONQUEST GitHub: https://github.com/OrderN/CONQUEST-release
CONQUEST manual: https://conquest.readthedocs.io/en/latest/index.html
🔥2👍1👏1👌1