The death of open access mega-journals?
https://phys.org/news/2023-03-death-access-mega-journals.html
https://phys.org/news/2023-03-death-access-mega-journals.html
phys.org
The death of open access mega-journals?
The entire scientific publishing world is currently undergoing a massive stress test of quantity vs. quality, open access (free) vs. institutional subnoscriptions (paywall), and how to best judge the integrity ...
Chemists tackle the tough challenge of recycling mixed plastics
https://phys.org/news/2023-04-chemists-tackle-tough-recycling-plastics.html
https://phys.org/news/2023-04-chemists-tackle-tough-recycling-plastics.html
phys.org
Chemists tackle the tough challenge of recycling mixed plastics
Plastics are everywhere in our daily lives, but not all plastics are created equal—far from it.
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On behalf of the Amber development team, I am pleased to announce the release of AmberTools23. Thanks to all who contributed to this. Details and downloading instructions are here: https://ambermd.org/
This is also a good time to remind people that Amber22 (basically, the pmemd program) is now also free for non-commercial use. We encourage people using older versions of Amber to update: https://ambermd.org/GetAmber.php
This is also a good time to remind people that Amber22 (basically, the pmemd program) is now also free for non-commercial use. We encourage people using older versions of Amber to update: https://ambermd.org/GetAmber.php
ambermd.org
The Amber Molecular Dynamics Package
Amber is a package of programs for
molecular dynamics simulations of proteins and nucleic acids
molecular dynamics simulations of proteins and nucleic acids
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Benzene’s forgotten isomer takes centre stage in organic synthesis | Research | Chemistry World
https://www.chemistryworld.com/news/benzenes-forgotten-isomer-takes-centre-stage-in-organic-synthesis/4017364.article
https://www.chemistryworld.com/news/benzenes-forgotten-isomer-takes-centre-stage-in-organic-synthesis/4017364.article
Chemistry World
Benzene’s forgotten isomer takes centre stage in organic synthesis
1,2,3-cyclohexatriene proves to be an unexpected hit as a reagent in a wide range of reactions
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Elicit - AI tool to help finding literature for your research
Elicit is a research assistant using language models like GPT-3 to automate parts of researchers’ workflows. Currently, the main workflow in Elicit is Literature Review. If you ask a question, Elicit will show relevant papers and summaries of key information about those papers in an easy-to-use table.
🔗 - https://elicit.org/
Elicit is a research assistant using language models like GPT-3 to automate parts of researchers’ workflows. Currently, the main workflow in Elicit is Literature Review. If you ask a question, Elicit will show relevant papers and summaries of key information about those papers in an easy-to-use table.
🔗 - https://elicit.org/
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A nice cloud storage platform called 'infiniCloud' from Japan is recently released. New user can get 20GB free space. After applying some coupon code and clicking two links, one can get additional 25GB space (in total 45GB=20+5+10+10).
This cloud disk can be accessed on Linux/Windows/MacOS/Android/iOS via WebDav protocol. (check this page for more details https://infini-cloud.net/en/clients.html)
If you are interested, please check https://infini-cloud.net/en/index.html. After registering, you may enter the ref code 4M538 to get the 5GB bonus space.
To get additional 10GBx2, click
https://infini-cloud.net/en/modules/bonus/code=202304_10GB_jp/userid=MYUSERNAME
https://infini-cloud.net/en/modules/bonus/code=202304_10GB_en/userid=MYUSERNAME
[replace MYUSERNAME with your own username]
company info: https://infini-cloud.net/en/about.html
security measure info: https://infini-cloud.net/en/support_service_server.html
maximum speed: 200Mbps per IP address (https://infini-cloud.net/en/support_guide_general_speed.html)
underlying infrastructure: Solaris ZFS storage arrays in a RAIDZ-3 (https://infini-cloud.net/en/support_guide_general_storage.html)
inactive account: account with two-year inactivity will be deleted (https://infini-cloud.net/en/support_account_term.html)
transfer protocol: WebDAV (HTTPS)
Hope it helps! 😊
This cloud disk can be accessed on Linux/Windows/MacOS/Android/iOS via WebDav protocol. (check this page for more details https://infini-cloud.net/en/clients.html)
If you are interested, please check https://infini-cloud.net/en/index.html. After registering, you may enter the ref code 4M538 to get the 5GB bonus space.
To get additional 10GBx2, click
https://infini-cloud.net/en/modules/bonus/code=202304_10GB_jp/userid=MYUSERNAME
https://infini-cloud.net/en/modules/bonus/code=202304_10GB_en/userid=MYUSERNAME
[replace MYUSERNAME with your own username]
company info: https://infini-cloud.net/en/about.html
security measure info: https://infini-cloud.net/en/support_service_server.html
maximum speed: 200Mbps per IP address (https://infini-cloud.net/en/support_guide_general_speed.html)
underlying infrastructure: Solaris ZFS storage arrays in a RAIDZ-3 (https://infini-cloud.net/en/support_guide_general_storage.html)
inactive account: account with two-year inactivity will be deleted (https://infini-cloud.net/en/support_account_term.html)
transfer protocol: WebDAV (HTTPS)
Hope it helps! 😊
InfiniCLOUD
Apps|InfiniCLOUD | All-In-One Cloud Storage | Get 20GB Free
Large capacity online storage. Fast and comfortable use of Japanese servers. Create an account and get 10 GB free
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FreeDTS
FreeDTS is software to perform computational research on biomembranes at messocpic length-scale.
https://github.com/weria-pezeshkian/FreeDTS
FreeDTS is software to perform computational research on biomembranes at messocpic length-scale.
https://github.com/weria-pezeshkian/FreeDTS
GitHub
GitHub - weria-pezeshkian/FreeDTS: a package to simulate fluid surfaces and biomembranes
a package to simulate fluid surfaces and biomembranes - weria-pezeshkian/FreeDTS
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Elk version 8.8.26 has just been released
———————————————————-
This version features molecular dynamics using atomic trajectories
determined from the Hellman-Feynman + IBS forces. See the examples in
the elk/examples/molecular-dynamics directory for details. This
technique can also be used as a simple structural prediction method
using simulated annealing. Furthermore, the molecular dynamics forces
can be subsequently used in a TDDFT Ehrenfest calculation, although this
should be considered an experimental feature.
The new version is faster and more stable for most tasks.
Also included are examples of the electron-phonon coupled Bogoliubov
equations as described in Phys. Rev. B 105, 174509 (2022). See the
elk/examples/Bogoliubov directory.
https://sourceforge.net/projects/elk/
———————————————————-
This version features molecular dynamics using atomic trajectories
determined from the Hellman-Feynman + IBS forces. See the examples in
the elk/examples/molecular-dynamics directory for details. This
technique can also be used as a simple structural prediction method
using simulated annealing. Furthermore, the molecular dynamics forces
can be subsequently used in a TDDFT Ehrenfest calculation, although this
should be considered an experimental feature.
The new version is faster and more stable for most tasks.
Also included are examples of the electron-phonon coupled Bogoliubov
equations as described in Phys. Rev. B 105, 174509 (2022). See the
elk/examples/Bogoliubov directory.
https://sourceforge.net/projects/elk/
SourceForge
Elk
Download Elk for free. An all-electron full-potential linearised augmented-planewave (FP-LAPW) code. Designed to be as developer friendly as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.
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Scientists Discover a New Class of “Molecular Motors”
https://scitechdaily.com/scientists-discover-a-new-class-of-molecular-motors/
https://scitechdaily.com/scientists-discover-a-new-class-of-molecular-motors/
SciTechDaily
Scientists Discover a New Class of “Molecular Motors”
Cells possess a remarkable ability to organize their interiors using minuscule protein machines known as molecular motors, which generate directed motion. Most molecular motors rely on a common form of chemical energy, ATP, to function. Recently, a team of…
Theoretical Physicists Discover Why Optical Cavities Slow Down Chemical Reactions
https://scitechdaily.com/theoretical-physicists-discover-why-optical-cavities-slow-down-chemical-reactions/
https://scitechdaily.com/theoretical-physicists-discover-why-optical-cavities-slow-down-chemical-reactions/
SciTechDaily
Theoretical Physicists Discover Why Optical Cavities Slow Down Chemical Reactions
Scientists have discovered why chemical reactions are slowed down in mirrored cavities, where molecules interact with light. The team used Quantum-Electrodynamical Density-Functional Theory to find that the conditions inside the optical cavity affected the…
Beyond the Spectrum: Machine Learning Unlocks Predictive Power in Organic Chemistry Research
https://scitechdaily.com/beyond-the-spectrum-machine-learning-unlocks-predictive-power-in-organic-chemistry-research/
https://scitechdaily.com/beyond-the-spectrum-machine-learning-unlocks-predictive-power-in-organic-chemistry-research/
SciTechDaily
Beyond the Spectrum: Machine Learning Unlocks Predictive Power in Organic Chemistry Research
Scientists have developed a machine-learning algorithm that predicts electron energy levels in organic molecules. This breakthrough, trained on a database of over 22,000 molecules, could accelerate the design of functional molecules like pharmaceuticals.…
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