2 papers
physics.chem-ph2026
Learning Thermal Response Forces: A Method for Extending the Thermodynamic Transferability of Coarse-Grained Models via Machine-Learning
Patrick G. Sahrmann, Benjamin T. Nebgen, Kipton Barros +1
Machine-learned (ML) coarse-grained (CG) models are a promising tool for significantly enhancing the efficiency of molecular simulations by systematically removing degrees of freed…
physics.chem-ph2025
Coarse-Graining in Quantum Mechanics: Distinguishable and Indistinguishable Particles
Patrick G. Sahrmann, Gregory A. Voth
Bottom-up coarse-grained (CG) modeling expands the spatial and temporal scales of molecular simulation by seeking a reduced, thermodynamically consistent representation of an atomi…