84 citations
- University of ChicagoUS14 papers
- Argonne National LaboratoryUS3 papers
- Columbia UniversityUS3 papers
- University of Illinois Urbana-ChampaignUS3 papers
- Stanford UniversityUS2 papers
- Barcelona Supercomputing CenterES1 paper
- Biologie Moléculaire Structurale et Processus InfectieuxFR1 paper
- Budapest University of Technology and EconomicsHU1 paper
- Center for Theoretical Biological PhysicsUS1 paper
- Centre National de la Recherche ScientifiqueFR1 paper
- City University of New YorkUS1 paper
- Cleveland Clinic Lerner College of MedicineUS1 paper
15 papers
A Bottom-Up Field-Theoretic Framework via Hierarchical Coarse-Graining: Generalized Mode Theory
Jaehyeok Jin, Yining Han, Gregory A. Voth
Multiscale simulations facilitate the efficient exploration of large spatiotemporal scales in chemical and physical systems, yet particle-based simulations become prohibitively exp…
Understanding Dynamics in Coarse-Grained Models: V. Extension of Coarse-Grained Dynamics Theory to Non-Hard Sphere Systems
Jaehyeok Jin, Gregory A. Voth
Coarse-grained (CG) modeling has gained significant attention in recent years due to its wide applicability in enhancing the spatiotemporal scales of molecular simulations. While C…
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
Understanding Dynamics in Coarse-Grained Models: IV. Connection of Fine-Grained and Coarse-Grained Dynamics with the Stokes-Einstein and Stokes-Einstein-Debye Relations
Jaehyeok Jin, Gregory A. Voth
Applying an excess entropy scaling formalism to the coarse-grained (CG) dynamics of liquids, we discovered that missing rotational motions during the CG process are responsible for…
Motor crosslinking augments elasticity in active nematics
Steven A. Redford, Jonathan Colen, Jordan L. Shivers +8
In active materials, uncoordinated internal stresses lead to emergent long-range flows. An understanding of how the behavior of active materials depends on mesoscopic (hydrodynamic…
Understanding Dynamics in Coarse-Grained Models: II. Coarse-Grained Diffusion Modeled Using Hard Sphere Theory
Jaehyeok Jin, Kenneth S. Schweizer, Gregory A. Voth
The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) system…