Omar Valsson

Previous Scheduled Teaching

Published Intellectual Contributions

Journal Article

• Bhusal, S., Valsson, O. (2025). Characterizing the conformational ensemble of PROTAC degraders in solutions via atomistic simulations. Physical Chemistry Chemical Physics. 27 (45) 24211-24224. doi.org/10.1039/d5cp02530c
• Chen, S., Petersen, N., Valsson, O., Girard, M., Wang, H.I. (2025). Understanding and Controlling the Colloidal Stability of CdSe Nanoplatelets by Solvation Force Engineering. Journal of the American Chemical Society. 147 (39) 35347-35354. doi.org/10.1021/jacs.5c08392
• Tribello, G.A., Bonomi, M., Bussi, G., Camilloni, C., Armstrong, B.I., Arsiccio, A., Aureli, S., Ballabio, F., Bernetti, M., Bonati, L., Brookes, S.G., Brotzakis, Z.F., Capelli, R., Ceriotti, M., Chan, K.T., Cossio, P., Dasetty, S., Donadio, D., Ensing, B., Ferguson, A.L., Fraux, G., Gale, J.D., Gervasio, F.L., Giorgino, T., Herringer, N.S., Hocky, G.M., Hoff, S.E., Invernizzi, M., Languin-Cattoën, O., Leone, V., Limongelli, V., Lopez-Acevedo, O., Marinelli, F., Febrer Martinez, P., Masetti, M., Mehdi, S., Michaelides, A., Murtada, M.H., Parrinello, M., Piaggi, P.M., Pietropaolo, A., Pietrucci, F., Pipolo, S., Pritchard, C., Raiteri, P., Raniolo, S., Rapetti, D., Rizzi, V., Rydzewski, J., Salvalaglio, M., Schran, C., Seal, A., Shayesteh Zadeh, A., Silva, T.F., Spiwok, V., Stirnemann, G., Sucerquia, D., Tiwary, P., Valsson, O., Vendruscolo, M., Voth, G.A., White, A.D., Wu, J. (2025). PLUMED Tutorials: A collaborative, community-driven learning ecosystem. Journal of Chemical Physics. 162 (9) 092501. doi.org/10.1063/5.0251501
• Ghiringhelli, L., ..... (see full author list in publication), Valsson, O., Scheffler, M. (2023). Shared metadata for data-centric materials science. Scientific Data. 10 626. doi.org/10.1038/s41597-023-02501-8
• Rydzewski, J., Chen, M., Valsson, O. (2023). Manifold Learning in Atomistic Simulations: A Conceptual Review. Machine Learning: Science and Technology. 4 031001. doi.org/10.1088/2632-2153/ace81a
• Valsson, O. (2023). Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers. Macromolecules. 56 3272-3285. doi.org/10.1021/acs.macromol.2c02442
• Pampel, B., Holbach, S., Hartung , L., Valsson, O. (2023). Sampling Rare Event Energy Landscapes via Birth-Death Augmented Dynamics. Physical Review E. 107 024141. doi.org/10.1103/PhysRevE.107.024141
• Henin, J., Lelievre, T., Shirts, M.R., Valsson, O., Delemotte, L. (2022). Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]. Living Journal of Computational Molecular Science. 4 1583. doi.org/10.33011/livecoms.4.1.1583
• Petersen, N., Girard, M., Riedinger, A., Valsson, O. (2022). The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets. Nano Letters. 22, (24) 9847–9853. doi.org/10.1021/acs.nanolett.2c02848
• Rydzewski, J., Chen, M., Ghosh, T., Valsson, O. (2022). Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations. Journal of Chemical Theory and Computation. 18 7179–7192. doi.org/10.1021/acs.jctc.2c00873
• Pampel, B., Valsson, O. (2022). Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation. 18 4127-4141. doi.org/10.1021/acs.jctc.2c00197
• Iscen, A., Forero-Martinez, N.C., Valsson, O., Kremer, K. (2021). Acrylic Paints: An Atomistic View of Polymer Structure and Effects of Environmental Pollutants2.9. Journal of Physical Chemistry B. 125 (38) 10854-10865. https://doi.org/10.1021/acs.jpcb.1c05188
• Rydzewski, J., Valsson, O. (2021). Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling. Journal of Physical Chemistry A. 125 (28) 6286-6302. https://doi.org/10.1021/acs.jpca.1c02869

Software Tutorial

• Valsson, O. (2022). PLUMED Masterclass 22.11: Variationally enhanced sampling with PLUMED. https://www.plumed.org/doc-master/user-doc/html/masterclass-22-11.html

Contracts, Grants and Sponsored Research

Grant - Research

• Valsson, O. (Principal), "The Molecular Building Block Sampling Approach for Polymorphic Free Energy Calculations," sponsored by DOE Early Career, Federal, $875000 Funded. (2023 - 2028).
• Esmailie, F. (Principal), Valsson, O. (Principal), "A Multiscale Multiphysics In-Silico Model of Photobiomodulation therapy for hearing preservation," sponsored by University of North Texas, University of North Texas, $10000 Funded. (2024 - 2025).
• Valsson, O. (Principal), "Subaward from the NSF CAREER Grant of Oliverio Andrussi at Boise State University," sponsored by NSF - Subaward from Boise State, Federal, $42166 Funded. (2023 - 2023).