Nuclear spin conservation enables state-to-state control of ultracold molecular reactions | Nature Chemistry
Frontiers | Advances in Engineering Human Tissue Models
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations | Chemical Reviews
Publications • Rossini Group • Iowa State University
New insights into hydrophobicity at nanostructured surfaces: Experiments and computational models - Jan Macko, Natalia Podrojková, Renata Oriňaková, Andrej Oriňak, 2022
Development of a Light-Controlled Nanoplatform for Direct Nuclear Delivery of Molecular and Nanoscale Materials | Journal of the American Chemical Society
Recent advances and applications of machine learning in solid-state materials science | npj Computational Materials
Full article: Molecular-level insights into furfural hydrogenation intermediates over single-atomic Cu catalysts on magnesia and silica nanoclusters
Applying multi-scale simulations to materials research of nuclear fuels: A review - ScienceDirect
Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation | Chemical Reviews
Analytical Gradients for Nuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies | Journal of Chemical Theory and Computation
Design of Nuclear Magnetic Resonance Molecular Probes for Hyperpolarized Bioimaging - Kondo - 2021 - Angewandte Chemie International Edition - Wiley Online Library
Applying multi-scale simulations to materials research of nuclear fuels: A review - ScienceDirect
Development of a Light-Controlled Nanoplatform for Direct Nuclear Delivery of Molecular and Nanoscale Materials | Journal of the American Chemical Society
Applying multi-scale simulations to materials research of nuclear fuels: A review - ScienceDirect
Publications • Rossini Group • Iowa State University
Atomic-number (Z)-correlated atomic sizes for deciphering electron microscopic molecular images | PNAS
The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes | JACS Au
Encoding the atomic structure for machine learning in materials science - Li - 2022 - WIREs Computational Molecular Science - Wiley Online Library
IJMS | January-1 2021 - Browse Articles
Water | Free Full-Text | Water Radiolysis: Influence of Oxide Surfaces on H2 Production under Ionizing Radiation | HTML
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry | PNAS