Free Webinar
New Frontiers of Drug Discovery — From Machine Learning to Physics
You are invited to join a live webinar hosted by CDD:
New Frontiers of Drug Discovery From Machine Learning to Physics Thursday, September 9 at 9:00 am PT, 12:00 pm ET and 17:00 BST
Computational drug discovery approaches are playing an increasing role in rapidly advancing best-in-class drug candidates into the clinic.
In this webinar, panelists Jonah Kallenbach (CEO, Reverie Labs) and Woody Sherman (Chief Computational Scientist, Roivant) will discuss various approaches to machine learning and physics-driven drug design, as well as how they are being applied in real-world organizations.
Please register here:
https://info.collaborativedrug.com/2021-q3-scientific-webinar
New Frontiers of Drug Discovery — From Machine Learning to Physics
You are invited to join a live webinar hosted by CDD:
New Frontiers of Drug Discovery From Machine Learning to Physics Thursday, September 9 at 9:00 am PT, 12:00 pm ET and 17:00 BST
Computational drug discovery approaches are playing an increasing role in rapidly advancing best-in-class drug candidates into the clinic.
In this webinar, panelists Jonah Kallenbach (CEO, Reverie Labs) and Woody Sherman (Chief Computational Scientist, Roivant) will discuss various approaches to machine learning and physics-driven drug design, as well as how they are being applied in real-world organizations.
Please register here:
https://info.collaborativedrug.com/2021-q3-scientific-webinar
Schrodinger_1926_An_Undulatory_Theory_of_the_Mechanics_of_Atoms.pdf
1.2 MB
The original 1926 paper from Erwin Schrodinger - Physical Review 28 (6) 1049-1070
Registrations open. NOT FREE:
https://materials-chemistry.alliedacademies.com/2020/registration
https://materials-chemistry.alliedacademies.com/2020/registration
Allied Academies Conference
5<sup>th</sup> International Conference and Exhibition on Materials Science and Chemistry is on Nov 25 2021 at Berlin
5<sup>th</sup> International Conference and Exhibition on Materials Science and Chemistry euro-materials-chemistry-2021
Hartree_1928_The_Wave_Mechanics_of_an_Atom_with_a_Non_Coulomb_Central.pdf
1 MB
The original 1928 paper by Douglas Hartree: Math. Proc. Camb. Philos. Soc. 24 (1): 111. doi:10.1017/S0305004100011920
Scientists Have Transformed Pure Water Into a Metal
https://www.sciencealert.com/scientists-have-found-a-new-way-to-turn-water-metallic
https://www.sciencealert.com/scientists-have-found-a-new-way-to-turn-water-metallic
ScienceAlert
Scientists Have Transformed Pure Water Into a Metal
Pure water is an almost perfect insulator.
The_Chemical_Bond_Chemical_Bonding_Across_the_Periodic_Table.pdf
12 MB
Chemical Bonding Across the Periodic Table
Molecular cryo-EM discovers error in 25-year-old natural product structure | Research | Chemistry World
https://www.chemistryworld.com/news/molecular-cryo-em-discovers-error-in-25-year-old-natural-product-structure/4014124.article
https://www.chemistryworld.com/news/molecular-cryo-em-discovers-error-in-25-year-old-natural-product-structure/4014124.article
Chemistry World
Molecular cryo-EM discovers error in 25-year-old natural product ...
Nobel prize-winning biomolecule imaging technique adapted to characterise chemical compounds faster and easier than NMR and x-ray
Hohenberg_Kohn_1964_Inhomogeneous Electron Gas.pdf
819.2 KB
The original 1964 paper by Hohenberg and Kohn that gave birth to DFT
This bot includes LibGen (for books) and SciHub (for papers). Give it a try: @libgen_scihub_bot
Modern_Electronic_Structure_Theory_David_R_Yarkony_Editor_1995.pdf
35.6 MB
Modern Electronic Structure Theory - David R. Yarkony (Editor) (1995)
Watch "Intro to DFT - Day 2: Density-functional practice - Nicola Marzari" on YouTube
https://youtu.be/6tLx--alUZ8
https://youtu.be/6tLx--alUZ8
YouTube
Intro to DFT - Day 2: Density-functional practice - Nicola Marzari
An introduction to calculations using the total energy, planewaves, pseudopotential method. Suitable for everyone that wants to learn how to perform a DFT calculation. A self-learning handout and a virtual machine with pre-installed open-source quantum-simulation…
First crystal structure of bleach in its 200-year history | Research | Chemistry World
https://www.chemistryworld.com/news/first-crystal-structure-of-bleach-in-its-200-year-history/4014173.article
https://www.chemistryworld.com/news/first-crystal-structure-of-bleach-in-its-200-year-history/4014173.article
Chemistry World
First crystal structure of bleach in its 200-year history
X-ray structure of chemistry staples hypochlorite and hypobromite recorded for the first time
❤1
MolAR: Molecular Augmented Reality
https://mtzgroup.github.io/molar/
https://mtzgroup.github.io/molar/
mtzgroup.github.io
MolAR
Molecular augmented reality
The dos and don’ts of machine learning research – TechTalks
https://bdtechtalks.com/2021/08/19/machine-learning-research-pitfalls/
https://bdtechtalks.com/2021/08/19/machine-learning-research-pitfalls/
TechTalks
The dos and don’ts of machine learning research
Machine learning research and product development present several challenges that, if not addressed, can steer your project in the wrong direction. These tips will help you avoid these pitfalls.
Artificial photosynthesis technology emerging
https://phys.org/news/2021-08-artificial-photosynthesis-technology-emerging.html
https://phys.org/news/2021-08-artificial-photosynthesis-technology-emerging.html
phys.org
Artificial photosynthesis technology emerging
Korean researchers are striving to turn artificial photosynthesis technology into reality to achieve carbon neutrality or accomplish a net carbon emission value of zero. Artificial photosynthesis is a ...