MDTransport: A Modular, Open-Source, Extensible Python Tool for Computing Transport Properties from GROMACS and LAMMPS Simulations
https://t.co/HH5NqEgXMg
#JCIM Vol66 Issue16 #compchem
I just released ReShiki v0.6.1, a free, open-source alternative to ChemDraw.
Chemical drawing, reinvented.
Built in Rust for macOS, Windows, and Linux. Draw molecules, build reaction schemes, and export figures.
Try it: https://t.co/CrYQ1alzHT
Join us for the next #IASWebinar by Randall Snurr on diffusion measurements in nanoporous materials using molecular simulations as part of our special series on the recent IUPAC report on diffusion.
Time: Sept. 3, 1400 UTC
YouTube: https://t.co/ciTHHt1xdO
🚨 PhD Opportunity 🚨 Would you like to join my group at @UoBChemistry? The school will support 3 exceptional applicants (typically 1st class honours or equivalent).
🗓️ Closing date: Midnight, 3 Feb 2025
🏆 Awards based on academic excellence.
📩 E-mail me for details.
PhD opportunity! Interested in #compchem, organic materials e.g. #graphene, chemical #machine_learning? Want to be a part of a dynamic research family? Apply for a PhD @UoBChemistry in our group. Deadline 3.2.2025, UK home fees, email me for details! #PhDjobs#chemPhD
We are seeking a Postdoctoral Researcher to join the @NevadoLab at the University of Zurich. If you are motivated to work in the field of Organometallic Chemistry, we encourage you to apply!
@UZH_en@UZH_Chemistry@snsf_ch#chempostdoc
My group at NUS has several fully funded PhD positions for the Spring 2025 and Fall 2025 admissions. Please apply by sending me ([email protected]) your CV and a cover letter asap. Reposting is highly appreciated 🙏🙏🙏 #PhD#phdoffer#phdpositions
Time for another plug for this book from 2018.
It covers various aspects of gas #adsorption in metal-organic frameworks.
If you have new students who may be studying adsorption in MOFs - or you're new to the area yourself - I thoroughly recommend it!
https://t.co/TDRXYxvT5V
The much anticipated third edition of the classic Understanding Molecular Simulation, will publish later this year! Authored by #DaanFrenkel and #BerendSmit
PRE ORDER NOW USING CHEM30 DISCOUNT @
https://t.co/xWFd4ENHQT
🚨 Would you like to join a team of researchers working on multi-scale modelling of interfaces? Please contact us, a #compchem PhD position is available in our group. CV and contact references are requested. RT is highly appreciated!
Do you want to share your research results during #iupacchains2023? It is now possible to submit an abstract for an oral presentation or poster. Deadline is 15 February 2023. More info 👉https://t.co/0IADftJPgR
#connectingchemicalworlds#chemistry#iupac