Scientists Predict Never-Before-Seen Crystal Structures With Unexpected Chemistry : ScienceAlert
https://www.sciencealert.com/scientists-predict-never-before-seen-crystal-structures-with-unexpected-chemistry
https://www.sciencealert.com/scientists-predict-never-before-seen-crystal-structures-with-unexpected-chemistry
ScienceAlert
Scientists Predict Never-Before-Seen Crystal Structures With Unexpected Chemistry
This is completely new.
A New Ultrafast Camera Captures Molecular Dynamics In Cells - Asian Scientist Magazine
https://www.asianscientist.com/2023/07/in-the-lab/a-new-ultrafast-camera-captures-molecular-dynamics-in-cells/
https://www.asianscientist.com/2023/07/in-the-lab/a-new-ultrafast-camera-captures-molecular-dynamics-in-cells/
Perplexity AI - a co-pilot engine powered by GPT 3.5 (free) and GPT 4 (paid)
https://www.perplexity.ai/
https://www.perplexity.ai/
Perplexity AI
Perplexity is a free AI-powered answer engine that provides accurate, trusted, and real-time answers to any question.
GAMESS - June 30, 2023 R1 Public Release
A new public release of GAMESS is now available on the distribution server: https://www.msg.chem.iastate.edu/GAMESS/download.html
Release notes are now distributed with the source: $GMS_DIR/RELEASE.md (it is a markdown file - view with a markdown viewer or any text editor).
THE LIST OF NEW FEATURES IS HUGE!
Please use our public issue tracker to report any problems: https://github.com/gms-bbg/gamess-issues
A new public release of GAMESS is now available on the distribution server: https://www.msg.chem.iastate.edu/GAMESS/download.html
Release notes are now distributed with the source: $GMS_DIR/RELEASE.md (it is a markdown file - view with a markdown viewer or any text editor).
THE LIST OF NEW FEATURES IS HUGE!
Please use our public issue tracker to report any problems: https://github.com/gms-bbg/gamess-issues
GitHub
GitHub - gms-bbg/gamess-issues: GAMESS issue tracking
GAMESS issue tracking. Contribute to gms-bbg/gamess-issues development by creating an account on GitHub.
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Machine learning enables accurate electronic structure calculations at large scales for material modeling
https://phys.org/news/2023-07-machine-enables-accurate-electronic-large.html
https://phys.org/news/2023-07-machine-enables-accurate-electronic-large.html
phys.org
Machine learning enables accurate electronic structure calculations at large scales for material modeling
The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research, such as drug design and energy storage. However, the lack of a ...
New hydrodynamic theory helps to understand the correlation of ions
https://phys.org/news/2023-07-hydrodynamic-theory-ions.html
https://phys.org/news/2023-07-hydrodynamic-theory-ions.html
phys.org
New hydrodynamic theory helps to understand the correlation of ions
In their theoretical work, Dr. Diddo Diddens from Helmholtz Institute Münster of Forschungszentrum Jülich and Prof. Andreas Heuer from the Helmholtz Institute Münster and the Institute of Physical ...
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The 'Most Precise Measurement Yet' of an Electron's Dipole Moment Has Just Been Taken : ScienceAlert
https://www.sciencealert.com/the-most-precise-measurement-yet-of-an-electrons-dipole-moment-has-just-been-taken
https://www.sciencealert.com/the-most-precise-measurement-yet-of-an-electrons-dipole-moment-has-just-been-taken
ScienceAlert
The 'Most Precise Measurement Yet' of an Electron's Dipole Moment Has Just Been Taken
It could solve one of the Universe's biggest mysteries.
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A New Experiment Casts Doubt on the Leading Theory of the Nucleus - Nautilus
https://nautil.us/a-new-experiment-casts-doubt-on-the-leading-theory-of-the-nucleus-352026/
https://nautil.us/a-new-experiment-casts-doubt-on-the-leading-theory-of-the-nucleus-352026/
Nautilus
A New Experiment Casts Doubt on the Leading Theory of the Nucleus
By measuring inflated helium nuclei, physicists have challenged our best understanding of the force that binds protons and neutrons.
MIT Researchers Have Developed a Unified Framework that Uses Machine Learning to Simultaneously Predict Molecular Properties and Generate New Molecules Using Only a Small Amount of Data for Training - MarkTechPost
https://www.marktechpost.com/2023/07/11/mit-researchers-have-developed-a-unified-framework-that-uses-machine-learning-to-simultaneously-predict-molecular-properties-and-generate-new-molecules-using-only-a-small-amount-of-data-for-training/
https://www.marktechpost.com/2023/07/11/mit-researchers-have-developed-a-unified-framework-that-uses-machine-learning-to-simultaneously-predict-molecular-properties-and-generate-new-molecules-using-only-a-small-amount-of-data-for-training/
MarkTechPost
MIT Researchers Have Developed a Unified Framework that Uses Machine Learning to Simultaneously Predict Molecular Properties and…
To have a discovery via a Machine Learning algorithm, we need to have a large dataset of training data. There was a problem in predicting the molecular properties and generating new molecules. This can be solved via Machine Learning and Deep Learning approaches.…
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Now the excellent semi-empirical method GFN2-xTB has spin-polarized capabilities. Truly exciting news!
Read the paper: https://doi.org/10.1002/jcc.27185
Read the paper: https://doi.org/10.1002/jcc.27185
Wiley Online Library
High‐throughput screening of spin states for transition metal complexes with spin‐polarized extended tight‐binding methods
The semiempirical GFNn-xTB methods are extended with a spin-dependent energy term (spin-polarization), enabling the efficient screening of spin states for transition metal complexes. The performance ...
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The central role of density functional theory in the AI age | Science
https://www.science.org/doi/10.1126/science.abn3445
https://www.science.org/doi/10.1126/science.abn3445
Science
The central role of density functional theory in the AI age
Density functional theory (DFT) plays a pivotal role in chemical and materials science because of its relatively high predictive power, applicability, versatility, and computational efficiency. We review recent progress in machine learning (ML) model ...
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Researchers develop open-source software to speed up quantum research
https://phys.org/news/2023-06-open-source-software-quantum.html
https://phys.org/news/2023-06-open-source-software-quantum.html
phys.org
Researchers develop open-source software to speed up quantum research
Quantum technology is expected to fundamentally change many key areas of society. Researchers are convinced that there are many more useful quantum properties and applications to explore than those we ...
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Scientists Successfully Produce Slow Electrons in a Solution
https://scitechdaily.com/scientists-successfully-produce-slow-electrons-in-a-solution/
https://scitechdaily.com/scientists-successfully-produce-slow-electrons-in-a-solution/
SciTechDaily
Scientists Successfully Produce Slow Electrons in a Solution
An international group of scientists managed to produce slow electrons in a solution. These electrons could potentially enhance the efficiency of certain chemical reactions in the future. The original aim of this multinational research team was to detect…
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Scientists Have Developed the Whitest White Paint Ever Made—So Reflective It Can Cool Surfaces
https://news.artnet.com/art-world/scientists-have-developed-the-whitest-white-paint-ever-made-so-reflective-it-can-cool-surfaces-2338779
https://news.artnet.com/art-world/scientists-have-developed-the-whitest-white-paint-ever-made-so-reflective-it-can-cool-surfaces-2338779
Artnet News
Scientists Have Developed the Whitest White Paint Ever Made—So Reflective It Can Cool Surfaces | Artnet News
Scientists at Purdue University have a new version of their super-white acrylic paint that reflects 98.1 percent of sunlight.
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Postdoctoral Fellowship in India for Indian citizen
If you have defended or submitted your PhD thesis and have experience in DFT and MD simulations or Machine learning techniques, and want to pursue postdoctoral research in India, write to me ( Dr. Sarbani Ghosh: sarbani.ghosh@pilani.bits-pilani.ac.in) by 31st July. The screening will be started immediately.
If you have defended or submitted your PhD thesis and have experience in DFT and MD simulations or Machine learning techniques, and want to pursue postdoctoral research in India, write to me ( Dr. Sarbani Ghosh: sarbani.ghosh@pilani.bits-pilani.ac.in) by 31st July. The screening will be started immediately.
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PhD in Out-of-equilibrium and strongly correlated quantum matter
A Ph.D. position, starting in October 2023, on out-of-equilibrium and strongly correlated systems is available at the Department of Physics of the University of Salerno, Italy in the group of Prof. Adolfo Avella.
The research project regards the development and the application of novel theoretical methodologies for the analytical study and the numerical simulation of the optical (differential transient reflectivity, absorption, and transmission) and the spectroscopical (Tr-ARPES) response of real quantum materials brought out-of-equilibrium in pump-probe and/or electromagnetic cavity experimental setups. The main objective is to describe and understand the out-of-equilibrium behavior and time evolution of photo-injection processes, unconventional superconductivity, topological behavior, and strong correlations in prototypical semiconductors and transition-metal oxides for application in future electronics. The research project is carried out in close connection with a few teams of very excellent experimentalists in the field of ultrafast out-of-equilibrium solid-state physics.
Candidates should have adequate theoretical and/or computational physics skills, particularly for strongly-correlated and out-of-equilibrium systems [e.g. (non-equilibrium) Green's functions].
Application Deadline 18/08/2023
Please, send CV and expression of interest to:
Prof. Adolfo Avella
https://docenti.unisa.it/adolfo.avella
Dipartimento di Fisica "E.R. Caianiello"
Università degli Studi di Salerno
Italy
A Ph.D. position, starting in October 2023, on out-of-equilibrium and strongly correlated systems is available at the Department of Physics of the University of Salerno, Italy in the group of Prof. Adolfo Avella.
The research project regards the development and the application of novel theoretical methodologies for the analytical study and the numerical simulation of the optical (differential transient reflectivity, absorption, and transmission) and the spectroscopical (Tr-ARPES) response of real quantum materials brought out-of-equilibrium in pump-probe and/or electromagnetic cavity experimental setups. The main objective is to describe and understand the out-of-equilibrium behavior and time evolution of photo-injection processes, unconventional superconductivity, topological behavior, and strong correlations in prototypical semiconductors and transition-metal oxides for application in future electronics. The research project is carried out in close connection with a few teams of very excellent experimentalists in the field of ultrafast out-of-equilibrium solid-state physics.
Candidates should have adequate theoretical and/or computational physics skills, particularly for strongly-correlated and out-of-equilibrium systems [e.g. (non-equilibrium) Green's functions].
Application Deadline 18/08/2023
Please, send CV and expression of interest to:
Prof. Adolfo Avella
https://docenti.unisa.it/adolfo.avella
Dipartimento di Fisica "E.R. Caianiello"
Università degli Studi di Salerno
Italy
UNISA
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Physicists achieve breakthrough in Monte Carlo computer simulations
https://phys.org/news/2023-07-physicists-breakthrough-monte-carlo-simulations.html
https://phys.org/news/2023-07-physicists-breakthrough-monte-carlo-simulations.html
phys.org
Physicists achieve breakthrough in Monte Carlo computer simulations
Researchers at Leipzig University have developed a highly efficient method to investigate systems with long-range interactions that were previously puzzling to experts. These systems can be gases or even ...
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