20-Year-Old Molecular Prediction Comes True – Chemists Have Finally Succeeded in Synthesizing an Unusual and Elusive Molecule
https://scitechdaily.com/20-year-old-molecular-prediction-comes-true-chemists-have-finally-succeeded-in-synthesizing-an-unusual-and-elusive-molecule/
https://scitechdaily.com/20-year-old-molecular-prediction-comes-true-chemists-have-finally-succeeded-in-synthesizing-an-unusual-and-elusive-molecule/
SciTechDaily
20-Year-Old Molecular Prediction Comes True – Chemists Have Finally Succeeded in Synthesizing an Unusual and Elusive Molecule
The first and the best-known metallocene is 'ferrocene', which contains a single iron atom. Sandwich complexes are now standard topics in inorganic chemistry textbooks, and the bonding and electronic structure of metallocenes are covered in undergraduate…
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New method of wavefunction matching helps solve quantum many-body problems
https://phys.org/news/2024-05-method-wavefunction-quantum-body-problems.html
https://phys.org/news/2024-05-method-wavefunction-quantum-body-problems.html
phys.org
New method of wavefunction matching helps solve quantum many-body problems
Strongly interacting systems play an important role in quantum physics and quantum chemistry. Stochastic methods such as Monte Carlo simulations are a proven method for investigating such systems. However, ...
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Convergence and equilibrium in molecular dynamics simulations | Communications Chemistry
https://www.nature.com/articles/s42004-024-01114-5
https://www.nature.com/articles/s42004-024-01114-5
Nature
Convergence and equilibrium in molecular dynamics simulations
Communications Chemistry - Molecular dynamics (MD) is a powerful tool for the simulation of proteins and other biomolecules, however, convergence and equilibrium in MD simulations remain...
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Physical chemistry textbook now free to download as a ‘gift’ to the community | News | Chemistry World
https://www.chemistryworld.com/news/physical-chemistry-textbook-now-free-to-download-as-a-gift-to-the-community/4019535.article
https://www.chemistryworld.com/news/physical-chemistry-textbook-now-free-to-download-as-a-gift-to-the-community/4019535.article
Chemistry World
Physical chemistry textbook now free to download as a ‘gift’ to the community
Peter Atkins gives away Concepts in Physical Chemistry in collaboration with the Royal Society of Chemistry
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Why are computational chemists making up their data? | Feature | Chemistry World
https://www.chemistryworld.com/features/why-are-computational-chemists-making-up-their-data/4019491.article
https://www.chemistryworld.com/features/why-are-computational-chemists-making-up-their-data/4019491.article
Chemistry World
Why are computational chemists making up their data?
'Synthetic data' is being used in chemistry, but is it something we should worry about? Hayley Bennett explains
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Two Openings for Post Doctoral Fellowships in Computation (position one) and Machine Learning (position two) of High Entropy and Mixed Oxides for Hydrogen Electrolyzers and Fuel Cells
https://suncat.stanford.edu/opportunities/two-openings-post-doctoral-fellowships-computation-position-one-and-machine-learning
https://suncat.stanford.edu/opportunities/two-openings-post-doctoral-fellowships-computation-position-one-and-machine-learning
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3 Year Postdoc Position on Computational Liquid Metal Chemistry
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Applications are sought for a 3-year Postdoc position working on the discovery of new materials for key catalytic reactions addressing greenhouse gas emissions and food security issues. The role will focus on the computational aspects of the Australian Research Council (ARC) Discovery Project ‘Liquid Metal Interfaces – A Novel Platform for Catalysis’, working in the group of Professor Michelle Spencer and closely with the experimental CIs (Professors Torben Daeneke, Rosalie Hocking & Ken Chiang) on the grant.
The suitable candidate with be highly motivated with experience in performing DFT calculations and AIMD simulations using VASP (or related codes). Evidence of high impact publications in materials modelling of surface reactions, and experience using supercomputing facilities, is required.
For enquiries, please contact Professor Michelle Spencer (michelle.spencer@rmit.edu.au) leader of the Computational Materials Chemistry/Physics group at RMIT University, Australia.
Details and how to apply can be found here: https://lnkd.in/gxrvTbWK
https://psi-k.net/jobs/3-year-postdoc-position-on-computational-liquid-me
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Applications are sought for a 3-year Postdoc position working on the discovery of new materials for key catalytic reactions addressing greenhouse gas emissions and food security issues. The role will focus on the computational aspects of the Australian Research Council (ARC) Discovery Project ‘Liquid Metal Interfaces – A Novel Platform for Catalysis’, working in the group of Professor Michelle Spencer and closely with the experimental CIs (Professors Torben Daeneke, Rosalie Hocking & Ken Chiang) on the grant.
The suitable candidate with be highly motivated with experience in performing DFT calculations and AIMD simulations using VASP (or related codes). Evidence of high impact publications in materials modelling of surface reactions, and experience using supercomputing facilities, is required.
For enquiries, please contact Professor Michelle Spencer (michelle.spencer@rmit.edu.au) leader of the Computational Materials Chemistry/Physics group at RMIT University, Australia.
Details and how to apply can be found here: https://lnkd.in/gxrvTbWK
https://psi-k.net/jobs/3-year-postdoc-position-on-computational-liquid-me
lnkd.in
LinkedIn
This link will take you to a page that’s not on LinkedIn
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Graphite to Diamond: Mechanistic Insights from Molecular Dynamics Simulations | From Atoms To Words
https://www.arturorobertazzi.it/2024/05/graphite-to-diamond-mechanistic-insights-from-molecular-dynamics-simulations/
https://www.arturorobertazzi.it/2024/05/graphite-to-diamond-mechanistic-insights-from-molecular-dynamics-simulations/
Arturo Robertazzi
Graphite to Diamond: Mechanistic Insights from Molecular Dynamics Simulations | From Atoms To Words
Diamonds aren't forever; they will eventually turn back into graphite. How does the phase transition from graphite to diamond and back unfold?
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