Computational and Quantum Chemistry – Telegram
Computational and Quantum Chemistry
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A group dedicated to everything about theoretical and computational/quantum chemistry.
Please, write in English only. Keep on-topic. Be respectful always.
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gget alphafold: Predict the 3D structure of a protein from its amino acid sequence using @DeepMind ’s AlphaFold v2.0 from a Python or command-line environment in 3 lines of code. Runs on any laptop and requires only ~4 GB of disk space. Simply ‘pip install gget’ and:

https://twitter.com/NeuroLuebbert/status/1555968042948915200
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🎂🎂🎂 Paul Adrien Maurice Dirac - Born in 8 August 1902 🎂🎂🎂
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GAMESS July 31, 2022 R1 Public Release

A new public release of GAMESS is now available. Packed with new features and fixes!

Read the (long) release notes here: https://www.msg.chem.iastate.edu/GAMESS/versions.html

Or download here: https://www.msg.chem.iastate.edu/GAMESS/download.html
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#nyberman #workshop #membrane #simulations #charmmgui

REMINDER
Two days Virtual Hands-on Training Workshop on "Membrane Protein Simulations using CHARMM-GUI”

🌀Workshop Features:
- The workshop focuses on membrane Protein Simulations using CHARMM-GUI.
- Hands-on training and examples will be provided based on GROMACS software.
- The post Workshop Assessment Free Merit Seats will be given upon strict evolutions.
- Certifications will be provided for all the participants.

👥Trainers
👩‍🎓
Ms. Hemavathy Nagarajan, India
👨‍💻Dr. Shiv Bharadwaj, Prague Czech Republic

👥Number Of Seats?
- 10 Post Workshop Assessment Free-Merit seats
- 30 Paid Seats (25 Euros / 2000 ₹)

🌐For More Info & Register
https://www.nyberman.com/merit-workshops

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Channel @llbschool
Forum @letslearnbioinformatics
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Statistics for Research Students (2022)
An Open Access Resource with Self-Tests and Illustrative Examples

https://usq.pressbooks.pub/statisticsforresearchstudents/
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#nyberman #workshop #membrane #simulations #charmmgui

FINAL CALL
Virtual Hands-on Training Workshop on "Membrane Protein Simulations using CHARMM-GUI”

👨‍💻For More Info & Registration
https://www.nyberman.com/merit-workshops

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Channel @llbschool
Forum @letslearnbioinformatics
If you use ChemDraw - LEARN KEY COMMANDS! Save yourself hours of frustration and wasted time!

From https://twitter.com/That__Chemist
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Postdoctoral position in Density Functional Theory/Quantum Chemistry

We are seeking a highly motivated, skilled and independent postdoctoral research fellow with a strong background in density functional theory and quantum chemistry to join the Institute for Functional Intelligent Materials of the National University of Singapore with Professors Giovanni Vignale (https://ifim.nus.edu.sg/people/giovanni-vignale/) and Antonio Castro Neto on the development of new functionals for electronic density functional theory and quantum continuum mechanics. The work will involve a combination of analytical methods, numerical methods, and machine learning techniques.

Qualifications

PhD in Physics, Chemistry, or related discipline
A strong background in density functional theory, many-body theory and quantum chemistry
Experience with numerical implementation of density functional and quantum chemical calculations
Application instructions

Interested individuals should submit CV, a cover letter shortly describing their experience, and three letters of recommendation.

Apply online at this URL: https://careers.nus.edu.sg/job-invite/16821/

Deadline for best consideration is September 9, 2022
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The Academic Genealogy of Chemistry Researchers
The Academic Genealogy of Chemistry Researchers is a free, volunteer-run website designed to help you track your academic genealogy. Our goal is to collect information about the graduate student and postdoctoral relationships between most researchers in the field. This tree exists as a part of the larger Academic Family Tree, which seeks to build a genealogy across multiple academic fields.

https://academictree.org/chemistry/index.php
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#workshop #essential #academic #skills #writing #dissertation

VIRTUAL WORKSHOP
Article Writing Using LaTEX Online Editor

- The NyBerMan team,
🧑‍🏫Dr. Divyashree Nageshwaran (University of Cambridge, UK)
👨‍🏫Dr. Sneha Singh
(Hamburg, Germany),

will conduct a two-day workshop on basic-to-advanced article, dissertation, writing & publishing.

- This workshop will provided concepts and hands-on training on classical tools, plugins, and explicit training in famous online editor LaTex , i.e.,
https://www.overleaf.com/

👩‍🎓Who can apply?
Anyone aspiring to learn writing concepts and get experience in article writing using LaTeX

✍️Number Of Seats?
- 30 Paid Seats
- 10 Post Workshop Assessment Free-Merit seats

🗓Important Dates:
- The workshop will be held on 3rd-4th September 2022

🌐For more info & Register
https://www.llbschool.org/latex-workshop

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Channel @llbschool
Our super duper cool lab has an open position for PhD. Honestly, one of the best Institues in Germany.

We are mainly doing machine learning and quantum chem for small molecules and graphene.

https://www.h-its.org/hits-job/phd-position-m-f-d-in-computational-materials-science/

You can write me if you have questions about the supervisor, coworkers or working conditions.
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AlphaFold2 and the future of structural biology
AlphaFold2 is a machine-learning algorithm for protein structure prediction that has now been used to obtain hundreds of thousands of protein models. The resulting resource is marvelous and will serve the community in many ways. Here I discuss the implications of this breakthrough achievement, which changes the way we do structural biology.

https://www.nature.com/articles/s41594-021-00650-1
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