Omar Valsson
@OmarValsson
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Assistant Professor in Theoretical/Computational Chemistry at University of North Texas - @UNTChemistry - Developer of atomistic simulations methods
Denton, Texas
Joined November 2011
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.
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RT @Orianasilvab: A few weeks ago, I got the opportunity to present my research at the first Texas Computational Chemistry Symposium hosted….
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RT @JakubRydzewski: Very happy to announce that our featured review on thermodynamics-informed learning of slow CVs has finally been publis….
pubs.aip.org
Understanding the long-time dynamics of complex physical processes depends on our ability to recognize patterns. To simplify the description of these processes,
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RT @JakubRydzewski: Our review on ML, CVs, and enhanced sampling has been accepted in Chem. Phys. Rev. Congratulations to @tugceegokdemir o….
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RT @UNTChemistry: Check out one of our Graduate Students Oriana, who works in Dr. Valsson's research group. Oriana is the co-organizer for….
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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.
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:
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Abstracts for contributed presentations should be submitted via the APS March 2024 Submission Portal:. 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.
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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.
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RT @UNTChemistry: Huge congratulations to @UNTChemistry Assistant Professor @OmarValsson for receiving the 2023 DOE Early Career Award! htt….
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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.
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RT @UNTChemistry: Hard to believe our 10 week @NSF #REU program is over! Steven, Matt, Marvin, Alyssa, Noah, Grace, Catherine and Jocelyn--….
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RT @rocohuerto: Alpha-Helix (un)folding in aqueous urea results from a competition between preferential interaction, H-bond and dipole-dipo….
pubs.acs.org
We propose a mechanism for α-helix folding of polyalanine in aqueous urea that reconciles experimental and simulation studies. Over 15 μs long, all-atom simulations reveal that, upon dehydrating the...
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RT @MollyBAtkinson: We’re hiring a #CER Assistant Professor @UNTChemistry! Anticipated state date Fall 2024, application review begins Octo….
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Please apply to this workshop if you are interested to learn to use different enhanced sampling methods! I will be teaching about metadynamics.
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!
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And now out in the final form in J. Chem. Theory Comput. (@JCIM_JCTC).
pubs.acs.org
Enhanced sampling methods are indispensable in computational chemistry and physics, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space of dynamical...
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RT @GroupParrinello: 🚨POST-DOC OPENINGS at @GroupParrinello 🚨. We have two open positions for Post-Doctoral research in our group at @IITal….
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RT @UNTChemistry: The UNT Chemistry Department is searching for two tenure-track Assistant Professors: One in Computational/Theoretical Che….
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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:. #CompChem #ChemJobs @Chemjobber.
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RT @MollyBAtkinson: Come be my #CER colleague at @UNTChemistry! We’re hiring a Tenure Track Assistant Professor of Chemistry, specializing….
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I have a postdoc opening in my group at @UNTChemistry to work on the development and application of enhanced sampling methods for biomolecular simulations. Full details and how to apply: ..#compchem.
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