Voth, Gregory A.
- PLUMED Tutorials: a collaborative, community-driven learning ecosystem
2024/11/29 by Gareth A. Tribello, Tribello, Gareth A., Massimiliano Bonomi +124 · 1 voice · 5 citations
Computer Science · Decision Sciences · Engineering · Psychology · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Innovative Teaching and Learning Methods #Open Education and E-Learning #Physics Education (physics.ed-ph)
- Coarse-Graining with Equivariant Neural Networks: A Path Towards Accurate and Data-Efficient Models
2023/09/17 by Loose, Timothy D., Sahrmann, Patrick G., Qu, Thomas S. +1 · 2 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models Through Virtual Particles
2022/12/08 by Patrick G. Sahrmann, Sahrmann, Patrick G., Timothy D. Loose +5 · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · #Protein Structure and Dynamics #Machine Learning in Materials Science #Lipid Membrane Structure and Behavior
- Understanding Dynamics in Coarse-Grained Models: III. Roles of Rotational Motion and Translation-Rotation Coupling in Coarse-Grained Dynamics
2023/07/31 by Jin, Jaehyeok, Lee, Eok Kyun, Voth, Gregory A. · 2 citations
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech)
- Density Functional Theory-based Quantum Mechanics/Coarse-grained Molecular Mechanics: Theory and Implementation
2020/07/20 by Mironenko, Alexander V., Voth, Gregory A. · 1 citation
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Soft Condensed Matter (cond-mat.soft)