3 papers
physics.chem-ph2026
Committors and Reaction Rates from Trial Functions That Violate the Boundary Conditions
Magnus Petersen, Simon Lichtinger, Roberto Covino
The committor is the optimal reaction coordinate for a rare transition: it pinpoints the transition state and fixes the rate, and it governs events from protein folding to crystal…
physics.chem-ph2025
Follow the MEP: Scalable Neural Representations for Minimum-Energy Path Discovery in Molecular Systems
Magnus Petersen, Gemma Roig, Roberto Covino
Characterizing conformational transitions in physical systems remains a fundamental challenge, as traditional sampling methods struggle with the high-dimensional nature of molecula…
cs.NE2023
Exploring Multiple Neighborhood Neural Cellular Automata (MNNCA) for Enhanced Texture Learning
Magnus Petersen
Cellular Automata (CA) have long been foundational in simulating dynamical systems computationally. With recent innovations, this model class has been brought into the realm of dee…