Birds Have a Mysterious 'Quantum Sense'. For The First Time, Scientists Saw It in Action
https://www.sciencealert.com/birds-have-a-quantum-sense-and-for-the-first-time-scientists-see-it-in-action

Remember that Sci-Hub is available on Telegram. Just add the @scihubot

Study shows tweaking one layer of atoms on a catalyst's surface can make it work better
https://phys.org/news/2021-01-tweaking-layer-atoms-catalyst-surface.html

There is a new CP2K available to download!
Version 8.1 brings several improvements and bug fixes:
https://github.com/cp2k/cp2k/releases/tag/v8.1.0

* Fix bug affecting ADMM on GPUs (#893)
* Fix bug affecting Amber dihedrals (#984)
* Drop support for Python 2 and non-OpenMP builds
* Add interfaces to GRRM17 and SCINE codes
* Add support for Cosma (https://github.com/eth-cscs/COSMA)
* Add support for Voronoi integration of electron density (https://brehm-research.de/voronoi)
* Add support for output of electron density in compressed BQB format (https://brehm-research.de/bqb)
* OpenMP refactoring and speed-ups for one electron integrals
* Response code for polarizabilities: add finite difference debug, hybrid functionals, and ADMM
* Harris functional based on Kohn-Sham density
* TDDFPT code refactoring, add sTDA kernel, xTB/sTDA method
* NNP: Behler-Parrinello Neural Network Potentials
* XAS_TDP: Add OT solver and improve performance
* mGGA: Add stress tensor and fix bug (#1116)
* QMMM: Add benchmarks and speedup GEEP with OpenMP
* LS: Add sign calculation based on submatrix method
* ALMO: Add trust region methods
* RI-HFX: Add resolution of identity for Hartree-Fock exchange
* RPA/GW/MP2: Several optimizations and refactoring to low-scaling implementation
* CUDA: GPU acceleration of collocate and integrate grid operations (experimental)

Introduction to the ORCA Quantum Chemistry Software

A personal story on a renaissance in valence bond theory: A theory coming of age!

Research breaks new ground in understanding how a molecular motor generates force
https://phys.org/news/2021-01-ground-molecular-motor.html

We are happy to announce the launch of the seventh edition of the virtual winter school on computational chemistry from February 15th to 19th.

Not only are we proud to share with you yet another line up of noteworthy speakers. We also have a new website to further improve the experience of our virtual congress.

Registrations are open at https://winterschool.cc/ . Prior attendees will need to reregister as the attendee list is purged after sending this newsletter.

These are the currently confirmed speakers:

Professor Sharon Hammes-Schiffer, Yale University, USA
Dr Mercedes Alonso, VU Brussels, Belgium
Professor Bill Jorgensen, Yale University, USA
Dr Jeff Seeman, University of Richmond, USA
Professor Jeff Kovac, University of Tennessee Knoxville, USA
Dr. Ákos Tarcsay, Chemaxon
Professor Vera Krewald, TU Darmstadt, Germany
Professor Julian Gale, Curtin University, Australia
Dr Stephan Irle, Oak Ridge National Laboratory, USA
Dr Natalie Fey, University of Bristol, UK
Professor Mark Tuckermann, NYU, USA
Professor Irene Burghardt, Goethe-Universität Frankfurt, Germany
Dr Ivan Rivalta, University of Bologna, Spain
Professor Martin Head-Gordon, UC Berkley, USA
Professor Heather Kulik, MIT, USA
Live workshops for ORCA and Quantum Espresso

Advanced Visual Quantum Mechanics - Bernd Thaller - 1 Ed.

Alcohols exhibit quantum effects
https://phys.org/news/2021-01-alcohols-quantum-effects.html

Eckhard Bill - Spin Hamiltonian Formalism for Transition Metal Complexes

The Schrodinger Equation - F. A. Berezin

05 - Thorsten Glaser - Introduction to Magnetochemistry

"How many water molecules make a droplet? | Research | Chemistry World" https://www.chemistryworld.com/news/how-many-water-molecules-make-a-droplet/4013080.article#/

Special Webinar: "From single-molecule magnets to infinite spin chains: A many-body adventure"
https://youtu.be/2Nw5z3OI92I

06 - Maurice van Gastel - EPR Spectroscopy

"Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH 3 NH 3 PbI 3 hybrid organic-inorganic halide perovskite solar cell semiconductor | Scientific Reports" https://www.nature.com/articles/s41598-018-36218-1

Ab initio molecular dynamics basic theory and advanced methods

Artificial Intelligence By Example Acquire Advanced AI, Machine Learning and Deep Learning design skills

07 - Eckhard Bill - Mössbauer Spectroscopy