Quantum Chemistry Package 2023 for Maple Released
The team at RDMChem hopes that you are doing well. Today we are excited to announce the launch of the 2023 Edition of the Quantum Chemistry Package for Maple 2023! The Maple Quantum Chemistry Package 2023 provides a powerful, parallel platform for quantum chemistry calculations that directly integrates as an add-on package into the Maple 2023 environment. It is optimized for both research and education. The Add-on Package (also known as Toolbox) includes density functional theory and wave function methods as well as advanced two-electron reduced density matrix (2-RDM) theories. It is available on Windows, MacOS, and Linux.
The 2023 Package has significant new features and enhancements including:
* New Subpackage for Quantum Computing
* Literature Search via 40+ Million Articles
* Fly-through Molecule Animations
* Custom Hamiltonians in Variational 2-RDM
* Geometries from SMILES Formulas
* Enhanced Editing of Molecular Plots
* Explore Enhancements throughout the Package
https://www.rdmchem.com/
The team at RDMChem hopes that you are doing well. Today we are excited to announce the launch of the 2023 Edition of the Quantum Chemistry Package for Maple 2023! The Maple Quantum Chemistry Package 2023 provides a powerful, parallel platform for quantum chemistry calculations that directly integrates as an add-on package into the Maple 2023 environment. It is optimized for both research and education. The Add-on Package (also known as Toolbox) includes density functional theory and wave function methods as well as advanced two-electron reduced density matrix (2-RDM) theories. It is available on Windows, MacOS, and Linux.
The 2023 Package has significant new features and enhancements including:
* New Subpackage for Quantum Computing
* Literature Search via 40+ Million Articles
* Fly-through Molecule Animations
* Custom Hamiltonians in Variational 2-RDM
* Geometries from SMILES Formulas
* Enhanced Editing of Molecular Plots
* Explore Enhancements throughout the Package
https://www.rdmchem.com/
👍2
The Potential of Artificial Intelligence in Molecular Dynamics
https://ts2.space/en/the-potential-of-artificial-intelligence-in-molecular-dynamics/
https://ts2.space/en/the-potential-of-artificial-intelligence-in-molecular-dynamics/
TS2 SPACE
The Potential of Artificial Intelligence in Molecular Dynamics
The Potential of Artificial Intelligence in Molecular Dynamics TS2 SPACE
Forwarded from Lets Learn Bio-IT School 🇫🇷🇮🇳
Are you a biologist looking to learn R from scratch?
Then, our upcoming two days international virtual workshop ennoscriptd Introduction to R for Biologists is for you,
🗓 Scheduled on 24-25 June 2023.
》It covers the basics of R programming language, data structures, operators, and control structures.
》You will work with GenomicRanges & Biostrings packages and visualise NGS data with Bioconductor.
》You will also learn how to create publication-quality plots using ggplot2 and utilise Bioconductor packages for data analysis.
》The workshop will include both theory and hands-on sessions, so you will have the opportunity to practice your newly acquired skills.
🎁Benefits:
》Provided with participation certificate
》Recorded videos are provided
👩🎓Eligibility:
The program is interdisciplinary * and open to all interested participants with no programming knowledge.
💰Check the flyer for Fee & other details
👨💻Register now at our website:
https://www.nyberman.com/home#h.8zbwlts0r6hb
📢➖➖➖➖➖
@bioinfo_channel
Then, our upcoming two days international virtual workshop ennoscriptd Introduction to R for Biologists is for you,
🗓 Scheduled on 24-25 June 2023.
》It covers the basics of R programming language, data structures, operators, and control structures.
》You will work with GenomicRanges & Biostrings packages and visualise NGS data with Bioconductor.
》You will also learn how to create publication-quality plots using ggplot2 and utilise Bioconductor packages for data analysis.
》The workshop will include both theory and hands-on sessions, so you will have the opportunity to practice your newly acquired skills.
🎁Benefits:
》Provided with participation certificate
》Recorded videos are provided
👩🎓Eligibility:
The program is interdisciplinary * and open to all interested participants with no programming knowledge.
💰Check the flyer for Fee & other details
👨💻Register now at our website:
https://www.nyberman.com/home#h.8zbwlts0r6hb
📢➖➖➖➖➖
@bioinfo_channel
👍1
‘Almost magical’: chemists can now move single atoms in and out of a molecule’s core
https://www.nature.com/articles/d41586-023-01735-1
https://www.nature.com/articles/d41586-023-01735-1
Nature
‘Almost magical’: chemists can now move single atoms in and out of a molecule’s core
Nature - An explosion of skeletal editing methods to insert, delete or swap individual atoms in molecular backbones could accelerate drug discovery.
👍1👏1
World's First X-Ray of a Single Atom Reveals Chemistry on The Smallest Level : ScienceAlert
https://www.sciencealert.com/worlds-first-x-ray-of-a-single-atom-reveals-chemistry-on-the-smallest-level
https://www.sciencealert.com/worlds-first-x-ray-of-a-single-atom-reveals-chemistry-on-the-smallest-level
ScienceAlert
World's First X-Ray of a Single Atom Reveals Chemistry on The Smallest Level
Oh no! Tiny skeletons!
👍1
Physicists develop powerful alternative to dynamic density functional theory
https://phys.org/news/2023-06-physicists-powerful-alternative-dynamic-density.html
https://phys.org/news/2023-06-physicists-powerful-alternative-dynamic-density.html
phys.org
Physicists develop powerful alternative to dynamic density functional theory
Living organisms, ecosystems and the planet Earth are, from a physics point of view, examples of extraordinarily large and complex systems that are not in thermal equilibrium. To physically describe non-equilibrium ...
❤2
Scientists develop artificial molecules that behave like real ones
https://phys.org/news/2023-06-scientists-artificial-molecules-real.html
https://phys.org/news/2023-06-scientists-artificial-molecules-real.html
phys.org
Scientists develop artificial molecules that behave like real ones
Scientists from the Radboud University have developed synthetic molecules that resemble real organic molecules. A collaboration of researchers, led by Alex Khajetoorians and Daniel Wegner, can now simulate ...
Implications of no-free-lunch theorems
https://phys.org/news/2023-06-implications-no-free-lunch-theorems.html
https://phys.org/news/2023-06-implications-no-free-lunch-theorems.html
phys.org
Implications of no-free-lunch theorems
In the 18th century, the philosopher David Hume observed that induction—inferring the future based on what's happened in the past—can never be reliable. In 1997, SFI Professor David Wolpert with his ...
First synthesis of unusual arsenic reagent reveals that it breaks periodic trend | Research | Chemistry World
https://www.chemistryworld.com/news/first-synthesis-of-unusual-arsenic-reagent-reveals-that-it-breaks-periodic-trend/4017553.article
https://www.chemistryworld.com/news/first-synthesis-of-unusual-arsenic-reagent-reveals-that-it-breaks-periodic-trend/4017553.article
Chemistry World
First synthesis of unusual arsenic reagent reveals that it breaks periodic trend
Electron deficient arsenic intermediate challenges preconceptions of heavy main group elements
👍1
Hand-built caesium-based ‘artificial atoms’ used to create ‘synthetic’ benzene | Research | Chemistry World
https://www.chemistryworld.com/news/hand-built-caesium-based-artificial-atoms-used-to-create-synthetic-benzene/4017567.article
https://www.chemistryworld.com/news/hand-built-caesium-based-artificial-atoms-used-to-create-synthetic-benzene/4017567.article
Chemistry World
Hand-built caesium-based ‘artificial atoms’ used to create ‘synthetic’ benzene
Manufactured atoms offer chemists chance to play 'mind games' with matter and change bond order of molecules
❤1