Microsoft Reveals ViSNet: A Cutting-Edge Framework for Molecular Property Prediction and Simulating Molecular Dynamics - CBIRT
https://cbirt.net/microsoft-reveals-visnet-a-cutting-edge-framework-for-molecular-property-prediction-and-simulating-molecular-dynamics/
https://cbirt.net/microsoft-reveals-visnet-a-cutting-edge-framework-for-molecular-property-prediction-and-simulating-molecular-dynamics/
CBIRT
Microsoft Reveals ViSNet: A Cutting-Edge Framework for Molecular Property Prediction and Simulating Molecular Dynamics
Microsoft's ViSNet: a groundbreaking molecular geometry model for precise molecular property prediction and Simulating molecular dynamics.
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xtb version 6.7.0 is available for download!
# New features
* CPCM-X in #838
* outer region saturation by in #848
* writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) in #828
* Implement dipole moment in GFN-FF in #869
* Add "--tmcosmo" mode for writing .cosmo files with TM convention in #864
* Dimer Projection Method DIPRO for xtb in #856
* add CMake option INSTALL_MODULES in #921
* constrain all atoms in #928
* Periodic boundary conditions in GFN-FF in #929
* REVISED: Implementation of the density tight-binding (PTB) method by in #963
* Sandwich Potential in #930
* raman activities with adjustable wavelength and T in #967
* add Stale workflow in #972
https://github.com/grimme-lab/xtb/releases/tag/v6.7.0
# New features
* CPCM-X in #838
* outer region saturation by in #848
* writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) in #828
* Implement dipole moment in GFN-FF in #869
* Add "--tmcosmo" mode for writing .cosmo files with TM convention in #864
* Dimer Projection Method DIPRO for xtb in #856
* add CMake option INSTALL_MODULES in #921
* constrain all atoms in #928
* Periodic boundary conditions in GFN-FF in #929
* REVISED: Implementation of the density tight-binding (PTB) method by in #963
* Sandwich Potential in #930
* raman activities with adjustable wavelength and T in #967
* add Stale workflow in #972
https://github.com/grimme-lab/xtb/releases/tag/v6.7.0
GitHub
Release xtb version 6.7.0 · grimme-lab/xtb
Many thanks to Benedict Bädorf (@benbaed), Sebastian Ehlert (@awvwgk), Joel Einbinder (@JoelEinbinder), Julia Kohn (@demonic-daisy), Marcel Müller (@marcelmbn), Christoph Plett (@cplett), Thomas Ro...
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Opposites attract? Not in new experiment that finds loophole in fundamental rule of physics | Live Science
https://www.livescience.com/physics-mathematics/opposites-attract-not-in-new-experiment-that-finds-loophole-in-fundamental-rule-of-physics
https://www.livescience.com/physics-mathematics/opposites-attract-not-in-new-experiment-that-finds-loophole-in-fundamental-rule-of-physics
livescience.com
Opposites attract? Not in new experiment that finds loophole in fundamental rule of physics
Like-charged objects were found to clump together because of the newly discovered "electrosolvation force."
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Paperlib: An Open-Source AI Research Paper Management Tool - MarkTechPost
https://www.marktechpost.com/2024/03/23/paperlib-an-open-source-ai-research-paper-management-tool/
https://www.marktechpost.com/2024/03/23/paperlib-an-open-source-ai-research-paper-management-tool/
MarkTechPost
Paperlib: An Open-Source AI Research Paper Management Tool
In academic research, particularly in computer vision, keeping track of conference papers can be a real challenge. Unlike journal articles, conference papers often lack easily accessible metadata such as DOI or ISBN, making them harder to find and cite. Researchers…
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For which types of chemical systems might the TPSS functional be particularly beneficial over other functionals?
Anonymous Quiz
15%
Systems with strong covalent bonding only
15%
Systems with predominantly ionic interactions
14%
Large biomolecules and polymers
51%
Transition metal complexes and systems with near-degeneracy effects
4%
Gases and simple diatomic molecules
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Researchers observe salt dissolution at the atomic level
https://phys.org/news/2024-03-salt-dissolution-atomic.html
https://phys.org/news/2024-03-salt-dissolution-atomic.html
phys.org
Researchers observe salt dissolution at the atomic level
A research team, affiliated with UNIST has achieved a groundbreaking feat by observing the dissolution of salt in water at the atomic level and experimentally uncovering the underlying principle.