Simon Olsson

Chalmers University of Technology — Sweden

Biochemistry, Genetics and Molecular Biology · Life Sciences

25h-index3.3kcitations116works2.72yr avg
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Research Topics

Protein Structure and Dynamics(47), Machine Learning in Materials Science(25), Computational Drug Discovery Methods(13), Enzyme Structure and Function(10), Quasicrystal Structures and Properties(9)

Publications117 total

Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators
arXiv (Cornell University)·2026Open Access
Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators
ArXiv.org·2026Open Access
Accelerating multi-objective V <sub>H</sub> H discovery via integrated high-throughput selection and AlphaFold3-guided structure prediction
2026Open Access
Generative molecular dynamics
Current Opinion in Structural Biology·2026· 1 citedOpen Access
Generative flow-based warm start of the variational quantum eigensolver
npj Quantum Information·2025Open Access
Consistent Projection of Langevin Dynamics: Preserving Thermodynamics and Kinetics in Coarse-Grained Models
arXiv (Cornell University)·2025Open Access
Characterizing Structural and Kinetic Ensembles of Intrinsically Disordered Proteins Using Writhe
Journal of Chemical Theory and Computation·2025Open Access
Conformational Quenching in an Engineered Lipocalin Protein Achieves High Affinity Binding to the Toxin Colchicine
Angewandte Chemie·2025Open Access
Conformational Quenching in an Engineered Lipocalin Protein Achieves High Affinity Binding to the Toxin Colchicine
Angewandte Chemie International Edition·2025Open Access
Transferable Generative Models Bridge Femtosecond to Nanosecond Time-Step Molecular Dynamics
arXiv (Cornell University)·2025· 1 citedOpen Access
Navigating protein landscapes with a machine-learned transferable coarse-grained model
Nature Chemistry·2025· 25 citedOpen Access
Minimum-Excess-Work Guidance
arXiv (Cornell University)·2025· 1 citedOpen Access
Characterizing structural and kinetic ensembles of intrinsically disordered proteins using writhe
2025· 2 citedOpen Access
Thermodynamic Interpolation: A Generative Approach to Molecular Thermodynamics and Kinetics
Journal of Chemical Theory and Computation·2025· 7 citedOpen Access
Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics
arXiv (Cornell University)·2024Open Access
Boltzmann priors for Implicit Transfer Operators
arXiv (Cornell University)·2024· 2 citedOpen Access
Yeast-display-guided high-throughput discovery of cross-binding VHHs against snake venom toxins
Toxicon·2024Open Access
Generation of conformational ensembles of small molecules via surrogate model-assisted molecular dynamics
Machine Learning Science and Technology·2024· 7 citedOpen Access
AI Tool for Exploring How Economic Activities Impact Local Ecosystems
Lecture notes in networks and systems·2024· 2 cited
Rescuing off-equilibrium simulation data through dynamic experimental data with dynAMMo
Machine Learning Science and Technology·2023· 4 citedOpen Access
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Frequent Co-authors

Frank Noé(20), Tim Hempel(7), Beat Vögeli(7), Cecilia Clementi(6), Lluı́s Raich(6), Wouter Boomsma(6), Thomas Hamelryck(6), Nicholas E. Charron(5), Brooke E. Husic(5), Ola Engkvist(5), Peter Güntert(5), Roland Riek(5), Andrea Cavalli(5), Adrià Pérez(4), Gianni De Fabritiis(4), Sara Romeo Atance(4), Juan Viguera Diez(4), Jesper Ferkinghoff‐Borg(4), Hao Wu(3), Jiang Wang(3)