The Electron Is Having a (Magnetic) Moment. It’s a Big Deal | WIRED
https://www.wired.com/story/the-electron-is-having-a-magnetic-moment-its-a-big-deal/
https://www.wired.com/story/the-electron-is-having-a-magnetic-moment-its-a-big-deal/
WIRED
The Electron Is Having a (Magnetic) Moment. It’s a Big Deal
A new experiment pulled off the most precise measurement of an electron’s self-generated magnetic field—and the universe’s subatomic model is at stake.
Ph.D. Position in Molecular Dynamics for Materials Science available in France
We are seeking a highly motivated and talented PhD candidate with a strong background in computational materials science and molecular dynamics simulations to join our group Physique et Mécanique des Milieux Divisés at the Laboratory of Mechanics and Civil Engineering (LMGC) at the University of Montpellier in France.
The successful candidate will work in a highly prolific environment on an exciting project that aims to advance our understanding of the formation of capacitive electrodes via pyrolysis of biomass and of the adsorption of ions in capacitive electrodes.
The Ph.D. project will involve the development and implementation of new simulation algorithms to investigate various conditions (temperature, heating rate, microstructure, etc.) and study the performance of carbon electrodes. The successful candidate will work closely with our postdoctoral researcher who will simulate the diffusion of ions in electrodes and compare with simulation results obtained with our experimental colleagues at INRAE.
The ideal candidate should be fluent in English, have a master's degree in materials science, statistical physics, or a related field, with a strong background in computational materials science and molecular dynamics simulations. Experience with classical force fields or ab-initio approaches for simulating materials synthesis or processing is desirable. Programming skills in C++, Fortran, or Python, and knowledge of parallel computing are also useful.
Our research team at the LMGC is highly international and has worked on different topics related to materials science, including the simulation of ionic transport in capacitive systems. The successful candidate will have the opportunity to participate in these collaborative projects and contribute to the development of cutting-edge simulation tools for studying complex systems.
This is a full-time Ph.D. position for three years starting in October 2023. To apply, please submit a cover letter, CV, and contact information for references to Romain Dupuis at romain.dupuis@umontpellier.fr and/or Katerina Ioannidou at aikaterini.ioannidou@umontpellier.fr. Applications will be reviewed on a rolling basis until the position is filled.
We are seeking a highly motivated and talented PhD candidate with a strong background in computational materials science and molecular dynamics simulations to join our group Physique et Mécanique des Milieux Divisés at the Laboratory of Mechanics and Civil Engineering (LMGC) at the University of Montpellier in France.
The successful candidate will work in a highly prolific environment on an exciting project that aims to advance our understanding of the formation of capacitive electrodes via pyrolysis of biomass and of the adsorption of ions in capacitive electrodes.
The Ph.D. project will involve the development and implementation of new simulation algorithms to investigate various conditions (temperature, heating rate, microstructure, etc.) and study the performance of carbon electrodes. The successful candidate will work closely with our postdoctoral researcher who will simulate the diffusion of ions in electrodes and compare with simulation results obtained with our experimental colleagues at INRAE.
The ideal candidate should be fluent in English, have a master's degree in materials science, statistical physics, or a related field, with a strong background in computational materials science and molecular dynamics simulations. Experience with classical force fields or ab-initio approaches for simulating materials synthesis or processing is desirable. Programming skills in C++, Fortran, or Python, and knowledge of parallel computing are also useful.
Our research team at the LMGC is highly international and has worked on different topics related to materials science, including the simulation of ionic transport in capacitive systems. The successful candidate will have the opportunity to participate in these collaborative projects and contribute to the development of cutting-edge simulation tools for studying complex systems.
This is a full-time Ph.D. position for three years starting in October 2023. To apply, please submit a cover letter, CV, and contact information for references to Romain Dupuis at romain.dupuis@umontpellier.fr and/or Katerina Ioannidou at aikaterini.ioannidou@umontpellier.fr. Applications will be reviewed on a rolling basis until the position is filled.
👍2
FREE ONLINE COURSE
Characterizing and Tailoring Polymers using Nuclear Magnetic Resonance
Co-produced with the ACS Division of Polymeric Materials: Science and Engineering
Thursday, April 6th | 2-3:30pm ET
Register here: https://www.acs.org/acs-webinars/library/nuclear-magnetic-resonance.html
Characterizing and Tailoring Polymers using Nuclear Magnetic Resonance
Co-produced with the ACS Division of Polymeric Materials: Science and Engineering
Thursday, April 6th | 2-3:30pm ET
Register here: https://www.acs.org/acs-webinars/library/nuclear-magnetic-resonance.html
American Chemical Society
Characterizing and Tailoring Polymers using Nuclear Magnetic Resonance
American Chemical Society: Chemistry for Life.
Scientists develop new concepts about the shape and dynamic nature of molecules
https://phys.org/news/2023-03-scientists-concepts-dynamic-nature-molecules.html
https://phys.org/news/2023-03-scientists-concepts-dynamic-nature-molecules.html
phys.org
Scientists develop new concepts about the shape and dynamic nature of molecules
Scientists have demonstrated in a new study that carbon-based molecules can be much more dynamic than previously thought.
New example of molecular chirality discovered | Research | Chemistry World
https://www.chemistryworld.com/news/new-example-of-molecular-chirality-discovered/4017155.article
https://www.chemistryworld.com/news/new-example-of-molecular-chirality-discovered/4017155.article
Chemistry World
New example of molecular chirality discovered
The first instance of a molecule in which an oxygen atom is the sole stereocentre has been reported
TheoDORE
A package for Theoretical Density, Orbital Relaxation and Exciton analysis
https://theodore-qc.sourceforge.io/index.html
A package for Theoretical Density, Orbital Relaxation and Exciton analysis
https://theodore-qc.sourceforge.io/index.html
👍3
Forwarded from Lets Learn Bio-IT School 🇫🇷🇮🇳
#internationalworkshop #cheminfo #ml #drugdiscovery
International Virtual Workshop ennoscriptd Basic Principles to Advanced techniques: Cheminformatics and MachineLearning in drugdiscovery
Jointly organised by
- NyBerMan Bioinformatics Europe, Orleans, France
- Vellore Institute of Technology, India
- Dr.M.G.R Educational & Research Institute University, India
- Quanta Calculus Pvt Ltd, India
🗓 22-29th April 2023
Workshop Benefits:
- Provided with participation certificate
- Recorded video provided
- Live chat support during off and live sessions
- Tutors who deliver all the sessions have 10+ years of experience in the field.
👨💻Register now at our website
https://bit.ly/3Za1WYc
📚Check for more details in the flyer
https://bit.ly/3Za9KJx
***** First come First served ****
📢«««««««
Channel @llbschool
Forum @letslearnbioinformatics
International Virtual Workshop ennoscriptd Basic Principles to Advanced techniques: Cheminformatics and MachineLearning in drugdiscovery
Jointly organised by
- NyBerMan Bioinformatics Europe, Orleans, France
- Vellore Institute of Technology, India
- Dr.M.G.R Educational & Research Institute University, India
- Quanta Calculus Pvt Ltd, India
🗓 22-29th April 2023
Workshop Benefits:
- Provided with participation certificate
- Recorded video provided
- Live chat support during off and live sessions
- Tutors who deliver all the sessions have 10+ years of experience in the field.
👨💻Register now at our website
https://bit.ly/3Za1WYc
📚Check for more details in the flyer
https://bit.ly/3Za9KJx
***** First come First served ****
📢«««««««
Channel @llbschool
Forum @letslearnbioinformatics
❤2
🔬 SIMPLAIX Workshop: ML for Multiscale Molecular Modeling 🧬
📍 Studio Villa Bosch, Heidelberg
📅 May 2-4, 2023
⏰ Register by March 31
🌟 Speakers: R. Wade, A. Dreuw, F. Gräter, F. Hamprecht, A. Gryn'ova, M. Elstner, P. Friederich, U. Köthe
🔗 https://simplaix-workshop2023.h-its.org/
Join us for an immersive exchange on multiscale simulation & ML in molecular research! #SIMPLAIX #MachineLearning
📍 Studio Villa Bosch, Heidelberg
📅 May 2-4, 2023
⏰ Register by March 31
🌟 Speakers: R. Wade, A. Dreuw, F. Gräter, F. Hamprecht, A. Gryn'ova, M. Elstner, P. Friederich, U. Köthe
🔗 https://simplaix-workshop2023.h-its.org/
Join us for an immersive exchange on multiscale simulation & ML in molecular research! #SIMPLAIX #MachineLearning
👍1
NWCHEM 7.2.0 is available!
There is a new update available for this excellent software (Yeah!!!)
💡Feature list
Solvation module:
* COSMO updates
Gaussian DFT module:
* New functionality: exact two-component relativistic Hamiltonian (X2C)
* New functionality: Auxiliary Density Functional Theory (ADFT) XC method
* New functionality: Resolution of Identity Time-Dependft DFT (RITDFT)
* New DFT XC functionals
- r2SCAN0
- r2scan-D3 and rscan-D3
- n12-sx
- mn15 and mn15-l
- mn12-sx and mm12-l
- revm11
- wb97, wb97-d3 and wb97x
- r2SCAN, r2SCAN-L
Basis set
* added autoaux fitting basis sets to libraries.bse
* new "bse" input option
Go get it: https://github.com/nwchemgit/nwchem/releases/tag/v7.2.0-release
There is a new update available for this excellent software (Yeah!!!)
💡Feature list
Solvation module:
* COSMO updates
Gaussian DFT module:
* New functionality: exact two-component relativistic Hamiltonian (X2C)
* New functionality: Auxiliary Density Functional Theory (ADFT) XC method
* New functionality: Resolution of Identity Time-Dependft DFT (RITDFT)
* New DFT XC functionals
- r2SCAN0
- r2scan-D3 and rscan-D3
- n12-sx
- mn15 and mn15-l
- mn12-sx and mm12-l
- revm11
- wb97, wb97-d3 and wb97x
- r2SCAN, r2SCAN-L
Basis set
* added autoaux fitting basis sets to libraries.bse
* new "bse" input option
Go get it: https://github.com/nwchemgit/nwchem/releases/tag/v7.2.0-release
GitHub
Release NWChem 7.2.0 · nwchemgit/nwchem
The NWChem 7.2.0 release is now available.
Documentation available at
https://nwchemgit.github.io
Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgi...
Documentation available at
https://nwchemgit.github.io
Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgi...
👍2
Pearson - 1963 - Hard and Soft Acids and Bases2.pdf
982.8 KB
The original Hard and Soft Acids and Bases paper by Pearson - J Am Chem Soc 85, 3533–3539 (1963).
👏6👍3❤1
An 'ecosystem' of tools to boost machine learning-based design of metal–organic frameworks
https://phys.org/news/2023-03-ecosystem-tools-boost-machine-learning-based.html
https://phys.org/news/2023-03-ecosystem-tools-boost-machine-learning-based.html
phys.org
An 'ecosystem' of tools to boost machine learning-based design of metal–organic frameworks
A team of chemists and computer scientists from the Swiss Federal Institute of Technology Lausanne, the University of California and Institut des Sciences et Ingenierie Chimiques, Ecole, have developed ...