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Hi, today is the last chance to register for the Virtual Winter School on Computational Chemistry. There will be Gaussian and ADF workshops and, also, lectures from some of the most prominent computational scientists in the world. The event is completely free.
https://winterschool.cc/

winterschool.cc

Virtual Winter School on Computational Chemistry - Home

Online congress discussing state of the art computational chemistry

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814 viewsedited 12:26

Computational and Quantum Chemistry

Watch "The Most Massive Molecule - Periodic Table of Videos" on YouTube
https://youtu.be/5YQwFjJ9GX4

YouTube

The Most Massive Molecule - Periodic Table of Videos

The theoretical molecule Oganesson Tetratennesside is the largest possible with five atoms - but is it possible!?
More links and info in full denoscription ↓↓↓

Paper in this video: https://arxiv.org/abs/2101.05737

Featuring Professor Martyn Poliakoff from…

750 views10:54

Computational and Quantum Chemistry

Forwarded from Lets Learn Bio-IT School 🇫🇷🇮🇳

🎯REMAINDER POST

NyBerMan Bioinformatics Europe organizing 2 days Virtual Workshop on Post Molecular Dynamics Simulation analysis in GROMACS
by @llbschool 📈

🧑‍🏫 Trainer :
Dr. Shiv bharadwaj & Team
Prague, Czech Republic.

The workshop focuses on the following
🪧 Post-MD simulations analysis tools using GROMACS &covers basics to advanced tools such as Stability analysis, Interaction analysis, Principle Component Analysis, MMGPSA calculations, etc.
🪧Will also help you frame the right questions & hypotheses while analyzing your MD trajectories.

🪑Total Available seats : 40
Merit seats are closed, Open for paid seats 🔉

✍️ Registration link :
https://tinyurl.com/nybermd

Benefits of the workshop
📄 A chance to write an MD analysis protocol & publish in magazine
📄The Merit certificates are provided with mentioning grades.
📄All the analysis will be taught using both Protein & Protein-Ligand complex systems.

👥JOIN US FOR BIOINFORMATICS DISCUSSIONS @letslearnbioinformatics

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733 views16:05

Computational and Quantum Chemistry

Dispersion correction (D3, D4, VV10 etc) is crucial to get accurate results in quantum chemistry calculations.

Anonymous Quiz

47%

False: It depends on the system size and the correction only gets relevant with ~ 50 or more atoms.

53%

True: every system is subjected to dispersion. Even small molecules with less than 10 atoms.

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66 voters812 views16:39

Computational and Quantum Chemistry

Just a friendly reminder that this Monday, at 9:00 AM CET starts the Winter School on Computational Chemistry!
I hope everyone was able to register to enjoy the ADF and Gaussian Workshops and lectures from the most prominent scientists, even the Nobel laureate Roald Hoffmann!
https://winterschool.cc/

winterschool.cc

Virtual Winter School on Computational Chemistry - Home

Online congress discussing state of the art computational chemistry

👍2

803 views23:31

Computational and Quantum Chemistry

Watch "Is The Wave Function The Building Block of Reality?" on YouTube
https://youtu.be/FP6iyVJ70OU

YouTube

Is The Wave Function The Building Block of Reality?

Thank you to Wren for supporting PBS. To learn more, go to https://wren.co/start/spacetime

Take the Space Time Fan Survey Here: https://forms.gle/wS4bj9o3rvyhfKzUA

PBS Member Stations rely on viewers like you. To support your local station, go to:http:…

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764 views15:57

Computational and Quantum Chemistry

Unusual Topology of Sodium Chloride – Table Salt – Revealed by Researchers
https://scitechdaily.com/unusual-topology-of-sodium-chloride-table-salt-revealed-by-researchers/

SciTechDaily

Unusual Topology of Sodium Chloride – Table Salt – Revealed by Researchers

A joint research team from the Hong Kong University of Science and Technology (HKUST) and the University of Tokyo discovered an unusual topological aspect of sodium chloride, commonly known as table salt, which will not only facilitate the understanding of…

801 views22:29

Computational and Quantum Chemistry

Two teams couple remote ions using a wire conductor
https://phys.org/news/2022-02-teams-couple-remote-ions-wire.html

phys.org

Two teams couple remote ions using a wire conductor

Two teams of researchers working independently have succeeded in coupling remotely located ions using a wire conductor. Both teams showed that individual particles can sense one another through the mirrored ...

813 views11:47

Computational and Quantum Chemistry

Study redefines what information is important in quantum measurements
https://phys.org/news/2022-02-redefines-important-quantum.html

phys.org

Study redefines what information is important in quantum measurements

Researchers at Korea Institute of Science and Technology (KIST) have recently tried to capture the interplay between different types of information that are important while collecting quantum measurements, ...

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965 views00:33

Computational and Quantum Chemistry

A new PLUMED version was just released!
PLUMED is an open-source, community-developed library that provides a wide range of different methods, which include:
* enhanced-sampling algorithms
* free-energy methods
* tools to analyze the vast amounts of data produced by molecular dynamics (MD) simulations.

https://www.plumed.org/download

www.plumed.org

How to get PLUMED | plumed by plumed

PLUMED website

811 views11:45

Computational and Quantum Chemistry

Experimental evidence for long-distance electrodynamic intermolecular forces
https://phys.org/news/2022-02-experimental-evidence-long-distance-electrodynamic-intermolecular.html

phys.org

Experimental evidence for long-distance electrodynamic intermolecular forces

While classical and quantum electrodynamics present the existence of dipole-dipole long-range electrodynamics forces, they remain to be experimentally observed. The discovery of completely new and unanticipated ...

810 views04:20

Computational and Quantum Chemistry

Progress and prospects in magnetic topological materials
https://phys.org/news/2022-03-prospects-magnetic-topological-materials.html