I am organizing a Focus Session on "Advances in AI/ML-Driven Sampling for Atomistic Simulations" at the APS March 2024 Meeting in Minneapolis, March 3-8, 2024, which is open for contributed presentations. The deadline to submit abstracts is October 20th.
https://t.co/VTOzlhzAyT
A few weeks ago, I got the opportunity to present my research at the first Texas Computational Chemistry Symposium hosted by Texas Woman's University. #CompChem#TWU#UNT#TCCS
Very happy to announce that our featured review on thermodynamics-informed learning of slow CVs has finally been published in Chemical Physics Reviews as part of the Special Collection on AI and Machine Learning in Chemical and Materials Science!
https://t.co/kRXpWoKvlY
Our review on ML, CVs, and enhanced sampling has been accepted in Chem. Phys. Rev. Congratulations to @tugceegokdemir on her 1st first-author paper! https://t.co/xzW5GytU6V
Many thanks to Haochuan Chen, @lukeevanshandle, @LuigiBonati, and @OmarValsson for their great feedback!
Check out one of our Graduate Students Oriana, who works in Dr. Valsson's research group. Oriana is the co-organizer for the UNU-IAS 2024 International Youth Day Webinar, taking place this Friday, August 23. Scan the QR code to learn more!
We at the University of North Texas Chemistry (@UNTChemistry) have tenure-track/tenured faculty openings in three areas:
- Chemical Biology (Asst)
- Synthetic Organic Chemistry (Asst/Assoc)
- Chemistry Education Research (Asst)
Further information at
https://t.co/8DL9nI1aMP
The UNT Chemistry Department is searching for THREE tenure-track/tenured faculty colleagues to join us in Fall 2024! Synthetic Organic Chemistry (Asst/Assoc Prof), Chemical Biology (Asst), and Chemistry Education Research (Asst). Links to apply: https://t.co/YTldMenWTf
Abstracts for contributed presentations should be submitted via the APS March 2024 Submission Portal:
https://t.co/VTOzlhzAyT
To submit abstracts, select 23 Data Science (GDS) and sub-category 23.01.21, or 05 Chemical Physics (DCP) and sub-category 05.01.08
I am organizing a Focus Session on "Advances in AI/ML-Driven Sampling for Atomistic Simulations" at the APS March 2024 Meeting in Minneapolis, March 3-8, 2024, which is open for contributed presentations. The deadline to submit abstracts is October 20th.
https://t.co/VTOzlhzAyT
The topics considered include:
- AI/ML-based enhanced sampling methods for molecular dynamics and Monte Carlo simulations.
- AI/ML methods to identify and construct slow collective variables and reaction coordinates.
The Session is sponsored by the Topical Group on Data Science.
I am thrilled to share that I am one of the DOE Early Career Award recipients for 2023! The award will fund my research group at @UNTChemistry for the next 5 years to work on advanced sampling methods for polymorphic transitions in molecular crystals.
https://t.co/nUDQXOZMe1
Hard to believe our 10 week @NSF#REU program is over! Steven, Matt, Marvin, Alyssa, Noah, Grace, Catherine and Jocelyn--you are amazing young researchers and we will miss you!
Alpha-Helix (un)folding in aqueous urea results from a competition between preferential interaction, H-bond and dipole-dipole interactions. Now online: https://t.co/9WFgbFbZgn at @ACSMacroLett . Luis A. Baptista, Kurt Kremer & @mukherji_deb. @mpi_polymer
We’re hiring a #CER Assistant Professor @UNTChemistry! Anticipated state date Fall 2024, application review begins October 9, 2023. Please feel free to ask me questions. And spread the word. 😎🙌🏼
#ChemEd#DBER#FacultyChemJobs
We's pleased to announce that applications are now being accepted for the iCoMSE virtual workshop on enhanced sampling techniques March 20-24, 2023. Please see the following webpage for the application link and additional information about the workshop! https://t.co/9Tb3lzFIi9
In this work, we introduce a general reweighting framework for manifold learning methods to learn collective variables for atomistic systems using training data from biased enhanced sampling simulation (e.g., metadynamics)
🚨POST-DOC OPENINGS at @GroupParrinello 🚨
We have two open positions for Post-Doctoral research in our group at @IITalk in Genova!
📄Details and online application: https://t.co/LWCQfW90b4
⏳Deadline: 11th November 2022
📍Location: IIT-CHT, Genova, Italy
The UNT Chemistry Department is searching for two tenure-track Assistant Professors: One in Computational/Theoretical Chemistry and one in Chemistry Education Research. For more info and application links: https://t.co/YTldMeEZVf
Come be our colleague at @UNTChemistry! We are looking to hire a Tenure Track Assistant Professor position in the broad area of Computational and Theoretical Chemistry.
Further information here:
https://t.co/8NPkUKA8L0
#CompChem#ChemJobs@Chemjobber