Max Planck and the Birth of Quantum Mechanics – SciTechDaily
https://scitechdaily.com/max-planck-and-the-birth-of-quantum-mechanics/amp/
https://scitechdaily.com/max-planck-and-the-birth-of-quantum-mechanics/amp/
SciTechDaily
Max Planck and the Birth of Quantum Mechanics
In the early evening of Sunday, October 7, 1900—120 years ago—Max Planck found the functional form of the curve that we now know as the Planck distribution of black-body radiation. By my account, it was the birthdate of quantum mechanics. A few hours earlier…
How do you identify yourself?
Anonymous Poll
32%
Female
63%
Male
0%
Non-binary
1%
Other
3%
I'd rather not say
The first room-temperature superconductor has finally been found | Science News
https://www.sciencenews.org/article/physics-first-room-temperature-superconductor-discovery/amp
https://www.sciencenews.org/article/physics-first-room-temperature-superconductor-discovery/amp
Science News
The first room-temperature superconductor has finally been found
A compound of carbon, hydrogen and sulfur conducts electricity without resistance up to 15° C, but there’s a catch: It works only under high pressure.
Quantum Chemical Accuracy from Density Functional Approximations via Machine Learning | Nature Research Device and Materials Engineering Community
https://devicematerialscommunity.nature.com/posts/quantum-chemical-accuracy-from-density-functional-approximations-via-machine-learning
https://devicematerialscommunity.nature.com/posts/quantum-chemical-accuracy-from-density-functional-approximations-via-machine-learning
Chemistry – A European Journal Installs Early Career Advisory Board :: Advertorial :: ChemistryViews
https://www.chemistryviews.org/details/advertorial/11270815/Chemistry__A_European_Journal_Installs_Early_Career_Advisory_Board.html
https://www.chemistryviews.org/details/advertorial/11270815/Chemistry__A_European_Journal_Installs_Early_Career_Advisory_Board.html
www.chemistryviews.org
Chemistry – A European Journal Installs Early Career Advisory Board :: Advertorial :: ChemistryViews
The first Chemistry Europe journal to give early career researchers a stronger voice in the journals development
Hammett equation parameters optimised for improved predictive power | Research | Chemistry World
https://www.chemistryworld.com/news/hammett-equation-parameters-optimised-for-improved-predictive-power/4012627.article#/
https://www.chemistryworld.com/news/hammett-equation-parameters-optimised-for-improved-predictive-power/4012627.article#/
Chemistry World
Hammett equation parameters optimised for improved predictive power
Update overcomes limitations and eliminates human biases intrinsic to the original formulation
FermiNet: Quantum Physics and Chemistry from First Principles | DeepMind
https://deepmind.com/blog/article/FermiNet
https://deepmind.com/blog/article/FermiNet
Deepmind
FermiNet: Quantum Physics and Chemistry from First Principles
In an article recently published in Physical Review Research, we show how deep learning can help solve the fundamental equations of quantum mechanics for real-world systems. Not only is this an important fundamental scientific question, but it also could…
Webinar: New Horizons in Scientific Software
"New Horizons in Scientific Software: from Legacy Codes to Modular Environments"
https://www.edison.re.kr/web/nhiss/
It is our great pleasure to invite you to participate in the web conference taking place
> from Nov 23 to Nov 26, 2020. This is the first conference in a series dedicated to the
development and application of modular computational platform for the general science
and technology community. As the old-fashioned approach to developing and
maintaining computational programs becomes obsolete, an emerging concept of
software modularity offers an elegant and timely solution of the looming problems
by providing an open development ecosystem where new computational approaches
can be rapidly created from modules uploaded at the web repository by the interested
users and developers.
We have more than 20 world-renowned speakers such as Prof. Mark Gordon (ISU),
T. Daniel Crawford (Virginia Tech.), Massimo Olivucci (University of Siena),
Garnet Chan (Caltech) and others, who are actively developing the most popular
quantum mechanical software, such as GAMESS, Psi4, pySCF, Molcas, Columbus,
Newton-X, DCDFTBMD, Gellan, Libint, etc.
A free registration is now open as a first-come-first-serve basis with a limit of 500 participants
at https://us02web.zoom.us/webinar/register/WN_B9-QFW89S-OZr0e-EzpfQw?timezone_id=UTC
"New Horizons in Scientific Software: from Legacy Codes to Modular Environments"
https://www.edison.re.kr/web/nhiss/
It is our great pleasure to invite you to participate in the web conference taking place
> from Nov 23 to Nov 26, 2020. This is the first conference in a series dedicated to the
development and application of modular computational platform for the general science
and technology community. As the old-fashioned approach to developing and
maintaining computational programs becomes obsolete, an emerging concept of
software modularity offers an elegant and timely solution of the looming problems
by providing an open development ecosystem where new computational approaches
can be rapidly created from modules uploaded at the web repository by the interested
users and developers.
We have more than 20 world-renowned speakers such as Prof. Mark Gordon (ISU),
T. Daniel Crawford (Virginia Tech.), Massimo Olivucci (University of Siena),
Garnet Chan (Caltech) and others, who are actively developing the most popular
quantum mechanical software, such as GAMESS, Psi4, pySCF, Molcas, Columbus,
Newton-X, DCDFTBMD, Gellan, Libint, etc.
A free registration is now open as a first-come-first-serve basis with a limit of 500 participants
at https://us02web.zoom.us/webinar/register/WN_B9-QFW89S-OZr0e-EzpfQw?timezone_id=UTC
Cryo–electron microscopy breaks the atomic resolution barrier at last | Science | AAAS
https://www.sciencemag.org/news/2020/10/cryo-electron-microscopy-breaks-atomic-resolution-barrier-last
https://www.sciencemag.org/news/2020/10/cryo-electron-microscopy-breaks-atomic-resolution-barrier-last
Science
Cryo–electron microscopy breaks the atomic resolution barrier at last
Improvements help the technique rival x-ray crystallography
Reimagining the shape of noise leads to improved molecular models
https://phys.org/news/2020-10-reimagining-noise-molecular.amp
https://phys.org/news/2020-10-reimagining-noise-molecular.amp
phys.org
Reimagining the shape of noise leads to improved molecular models
Tenacity comes naturally to a guy who hails from the "mule capital of the world." That trait has stood Columbia, Tennessee, native Elliot Perryman in good stead as an intern at Lawrence Berkeley National ...
Physics - Imaging Molecular Structure and Charge Simultaneously
https://physics.aps.org/articles/v13/165
https://physics.aps.org/articles/v13/165
Physics
Imaging Molecular Structure and Charge Simultaneously
A new technique determines both the charge distribution and the structural distortions that result from the addition of a single charge to a molecule.
How a digital breakthrough could revolutionize drug industry
https://www.cnbc.com/amp/2020/10/24/how-a-digital-breakthrough-could-revolutionize-drug-industry.html
https://www.cnbc.com/amp/2020/10/24/how-a-digital-breakthrough-could-revolutionize-drug-industry.html
CNBC
Scientists make digital breakthrough in chemistry that could revolutionize the drug industry
At the Cronin Lab at the University of Glasgow chemists developed a robotic chemist called a "chemputer" that turns words into molecules.
Machine learning in chemical reaction space | Nature Communications
https://www.nature.com/articles/s41467-020-19267-x
https://www.nature.com/articles/s41467-020-19267-x
Nature
Machine learning in chemical reaction space
Nature Communications - Application of machine-learning approaches to exploring chemical reaction networks is challenging due to need of including open-shell reaction intermediates. Here the...
We are proud to announce the release of ACEMD 3.3!
This new version adds key functionalities to Acelleras MD software (ACEMD Platform, see more at
https://www.acellera.com/products/molecular-dynamics-software-gpu-acemd/#acemd_def).
One of them is the integration of PLUMED to bring state-of-the-art free energy calculation capabilities to
ACEMD. PLUMED is an open-source library for free energy calculation, implementing several enhanced-
sampling methods, such as metadynamics, and an extensive set of collective variables.
Other changes in this release include an update to the latest OpenMM version, an improvement of the
PRMTOP file parser, among others. Check the ACEMD documentation page for more details, including our
new PLUMED tutorial (https://software.acellera.com/docs/latest/acemd3/tutorial.html#metadynamics-
simulation-of-alaninde-dipeptide).
Free version is available for non-profit entities.
Thanks for your interest, stay safe,
This new version adds key functionalities to Acelleras MD software (ACEMD Platform, see more at
https://www.acellera.com/products/molecular-dynamics-software-gpu-acemd/#acemd_def).
One of them is the integration of PLUMED to bring state-of-the-art free energy calculation capabilities to
ACEMD. PLUMED is an open-source library for free energy calculation, implementing several enhanced-
sampling methods, such as metadynamics, and an extensive set of collective variables.
Other changes in this release include an update to the latest OpenMM version, an improvement of the
PRMTOP file parser, among others. Check the ACEMD documentation page for more details, including our
new PLUMED tutorial (https://software.acellera.com/docs/latest/acemd3/tutorial.html#metadynamics-
simulation-of-alaninde-dipeptide).
Free version is available for non-profit entities.
Thanks for your interest, stay safe,
Machine Learning in Atomistic Computational Material Science Simulation
https://blog.re-work.co/machine-learning-in-atomistic-computational-material-science-simulation/
https://blog.re-work.co/machine-learning-in-atomistic-computational-material-science-simulation/
RE•WORK Blog - AI & Deep Learning News
Machine Learning in Atomistic Computational Material Science Simulation
One may wonder upon looking at this blog’s noscript, “What do atomistic simulations
have to do with machine learning?” For a start, atomistic computational material
science (CMS) requires solving the computationally expensive many-body
Schrodinger equation.…
have to do with machine learning?” For a start, atomistic computational material
science (CMS) requires solving the computationally expensive many-body
Schrodinger equation.…
Devil in the defect detail of quantum emissions unravelled
https://phys.org/news/2020-11-devil-defect-quantum-emissions-unravelled.amp
https://phys.org/news/2020-11-devil-defect-quantum-emissions-unravelled.amp
phys.org
Devil in the defect detail of quantum emissions unravelled
Systems which can emit a stream of single photons, referred to as quantum light sources, are critical hardware components for emerging technologies such as quantum computing, the quantum internet, and ...
ATTENTION - The ORCA user meeting starts tomorrow!
(All times are in Central European Time (CET), that is, UTC +1)