Omar Valsson

Assistant Professor in Theoretical/Computational Chemistry at University of North Texas - @UNTChemistry - Developer of atomistic simulations methods

[Omar Valsson @OmarValsson]

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

[Oriana Silva @Orianasilvab]

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

[Jakub Rydzewski @jkrd.bsky.social @JakubRydzewski]

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

[Jakub Rydzewski @jkrd.bsky.social @JakubRydzewski]

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!

[UNT Department of Chemistry @UNTChemistry]

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!

[Omar Valsson @OmarValsson]

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

[UNT Department of Chemistry @UNTChemistry]

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

[Omar Valsson @OmarValsson]

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

[Omar Valsson @OmarValsson]

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

[Omar Valsson @OmarValsson]

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.

[UNT Department of Chemistry @UNTChemistry]

Huge congratulations to @UNTChemistry Assistant Professor @OmarValsson for receiving the 2023 DOE Early Career Award! https://t.co/jwiKLURQDP

[Omar Valsson @OmarValsson]

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

[UNT Department of Chemistry @UNTChemistry]

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!

[Robin Cortes-Huerto @rocohuerto]

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

[Dr. Molly B. Atkinson @MollyBAtkinson]

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

[Omar Valsson @OmarValsson]

@tiwarylab @JCIM_JCTC @ACSPublications @gagliardi8 Great! Many congratulations!

[Omar Valsson @OmarValsson]

Please apply to this workshop if you are interested to learn to use different enhanced sampling methods! I will be teaching about metadynamics

[Michael Shirts @Michael_Shirts]

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

[Omar Valsson @OmarValsson]

@tiwarylab @XuhuiHuangChem I can second that! It was/is a strongly recommended math reference in my Physical Chemistry II class on quantum mechanics

[Omar Valsson @OmarValsson]

And now out in the final form in J. Chem. Theory Comput. (@JCIM_JCTC)

https://t.co/ERMkuxvhQN

[Omar Valsson @OmarValsson]

New preprint with @JakubRydzewski:
"Reweighted Manifold Learning of Collective Variables
from Enhanced Sampling Simulations"
https://t.co/kSgJR6fszG

[Omar Valsson @OmarValsson]

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)

[Parrinello Group @GroupParrinello]

🚨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

[UNT Department of Chemistry @UNTChemistry]

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

[Omar Valsson @OmarValsson]

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