We are happy to invite you to a free webinar: Teaching Computational Chemistry with SCIGRESS.
Date: 04 March 2021
Time: 11:00AM CET
Duration: 1h
During the meeting we will show you, how to use SCIGRESS to perform productive and interesting classes for your students. Here you have the link to the webinar:
https://meet.google.com/fxg-hgsj-gnn
We hope to see you at the workshop!
Fujitsu Computational Chemistry Group
Date: 04 March 2021
Time: 11:00AM CET
Duration: 1h
During the meeting we will show you, how to use SCIGRESS to perform productive and interesting classes for your students. Here you have the link to the webinar:
https://meet.google.com/fxg-hgsj-gnn
We hope to see you at the workshop!
Fujitsu Computational Chemistry Group
Google
Real-time meetings by Google. Using your browser, share your video, desktop, and presentations with teammates and customers.
What are you major interests (here in the group)?
Anonymous Poll
31%
Ask questions/get in touch
55%
Ebooks
37%
Events
39%
News
62%
Software (to download)
29%
Videos
A quantum computer just solved a decades-old problem three million times faster than a classical computer | ZDNet
https://www.zdnet.com/article/a-quantum-computer-just-solved-a-decades-old-problem-three-million-times-faster-than-a-classical-computer/
https://www.zdnet.com/article/a-quantum-computer-just-solved-a-decades-old-problem-three-million-times-faster-than-a-classical-computer/
ZDNET
A quantum computer just solved a decades-old problem three million times faster than a classical computer
Using a method called quantum annealing, D-Wave's researchers demonstrated that a quantum computational advantage could be achieved over classical means.
YouTube channels that computational chemists love
I'll share my 4 favorite channels in the comments here. Share yours too!
I'll share my 4 favorite channels in the comments here. Share yours too!
Free webinar: Identifying Human Protein Targets for COVID-19 Treatment
You are invited to a free webinar hosted by Collaborative Drug Discovery on March 18. UCSF professors Brian Shoichet and Nevan Krogan will discuss their work in mapping out virus-human protein interactions, and the subsequent identification of known drugs that exhibit antiviral activities by targeting human proteins. More information in the link below.
Identifying Human Protein Targets for COVID-19 Treatment
March 18th at 9AM (PT), 12-noon (ET) and 16:00 (GMT)
https://info.collaborativedrug.com/2021-q1-scientific-webinar
You are invited to a free webinar hosted by Collaborative Drug Discovery on March 18. UCSF professors Brian Shoichet and Nevan Krogan will discuss their work in mapping out virus-human protein interactions, and the subsequent identification of known drugs that exhibit antiviral activities by targeting human proteins. More information in the link below.
Identifying Human Protein Targets for COVID-19 Treatment
March 18th at 9AM (PT), 12-noon (ET) and 16:00 (GMT)
https://info.collaborativedrug.com/2021-q1-scientific-webinar
What is your favorite 2D molecule drawing tool?
ChemDoodle is probably one of the best available. It is not free, but the price is extremely cheap, lots of features and the support team is responsive and friendly.
https://www.chemdoodle.com/
ChemDoodle is probably one of the best available. It is not free, but the price is extremely cheap, lots of features and the support team is responsive and friendly.
https://www.chemdoodle.com/
Chemdoodle
ChemDoodle | Chemical Drawing Software
Chemical drawing and publishing software for Windows, macOS and Linux. Affordable and used by thousands of scientists around the world. Free trial available for immediate download.
Symmetry and group theory in chemistry.pdf
17.6 MB
Symmetry and group theory in chemistry
Computational_Chemistry_Introduction_to_the_Theory_and_Applications.pdf
13.8 MB
Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Multi-Component Molecular Orbital Theory.pdf
1.4 MB
Multi-Component Molecular Orbital Theory
Clocking the Movement of Electrons Inside an Atom – Down to a Millionth of a Billionth of a Second – SciTechDaily
https://scitechdaily.com/clocking-the-movement-of-electrons-inside-an-atom-down-to-a-millionth-of-a-billionth-of-a-second/amp/
https://scitechdaily.com/clocking-the-movement-of-electrons-inside-an-atom-down-to-a-millionth-of-a-billionth-of-a-second/amp/
SciTechDaily
Clocking the Movement of Electrons Inside an Atom – Down to a Millionth of a Billionth of a Second
Scientists get dramatically better resolution at X-ray free-electron lasers with a new technique. Intense, ultrashort X-ray pulses from hard X-ray free-electron lasers (XFELs) can capture images of biological structures down to the atomic scale and shed light…
Software PACKMOL
- Initial configurations for Molecular Dynamics Simulations by packing optimization -
http://leandro.iqm.unicamp.br/m3g/packmol/download.shtml
- Initial configurations for Molecular Dynamics Simulations by packing optimization -
http://leandro.iqm.unicamp.br/m3g/packmol/download.shtml
What is your highest education (academic degree)?
Anonymous Poll
27%
Doctoral Degree
40%
Master's Degree
25%
Bachelor's Degree
6%
High School
2%
Other
Remember that Sci-Hub is on Telegram too. If you want to download most papers (and even some books) just add the @scihubot and enjoy.
The_Quantum_Cookbook_Mathematical_Recipes_for_the_Foundations_of.pdf
8.4 MB
The Quantum Cookbook: Mathematical Recipes for the Foundations of Quantum Mechanics
Mathematics_for_Quantum_Mechanics_An_Introductory_Survey_of_Operators.pdf
5.6 MB
Mathematics for Quantum Mechanics: An Introductory Survey of Operators, Eigenvalues, and Linear Vector Spaces
Mathematics for Quantum Mechanics - Martin Laforest.pdf
4.6 MB
Mathematics for Quantum Mechanics - Martin Laforest
Atomic nuclei go for a quantum swing – Physics World
https://physicsworld.com/a/atomic-nuclei-go-for-a-quantum-swing/
https://physicsworld.com/a/atomic-nuclei-go-for-a-quantum-swing/
Physics World
Atomic nuclei go for a quantum swing
Precisely controlling nuclear excitations could aid the development of ultraprecise clocks as well as batteries that can store huge amounts of energy
Automated chemistry sets new pace for materials discovery
https://phys.org/news/2021-03-automated-chemistry-pace-materials-discovery.html
https://phys.org/news/2021-03-automated-chemistry-pace-materials-discovery.html
phys.org
Automated chemistry sets new pace for materials discovery
Researchers at the Department of Energy's Oak Ridge National Laboratory and the University of Tennessee are automating the search for new materials to advance solar energy technologies.
What is your favorite software? (if other, then you care to comment?)
Anonymous Poll
47%
Gaussian
10%
Orca
5%
GAMESS
2%
CP2K
1%
Siesta
9%
Quantum espresso
10%
Vasp
2%
Q-Chem
9%
Gromacs
6%
Other
Understanding_Organometallic_Reaction_Mechanisms_and_Catalysis_Computational.pdf
4.5 MB
Understanding Organometallic Reaction Mechanisms and Catalysis - Computational and Experimental Tools