Atomic-number (Z)-correlated atomic sizes for deciphering electron microscopic molecular images | PNAS
The Rise and Promise of Molecular Nanotopology | CCS Chem
Applying multi-scale simulations to materials research of nuclear fuels: A review - ScienceDirect
Analysis of Reactor Fuel Rod Behavior | SpringerLink
IJMS | January-1 2022 - Browse Articles
Publications • Rossini Group • Iowa State University
Frontiers | Advances in Engineering Human Tissue Models
IJMS | January-1 2021 - Browse Articles
Perspective on integrating machine learning into computational chemistry and materials science: The Journal of Chemical Physics: Vol 154, No 23
Capture of organic iodides from nuclear waste by metal-organic framework-based molecular traps | Nature Communications
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
New insights into hydrophobicity at nanostructured surfaces: Experiments and computational models - Jan Macko, Natalia Podrojková, Renata Oriňaková, Andrej Oriňak, 2022
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
Publications • Rossini Group • Iowa State University
Water | Free Full-Text | Water Radiolysis: Influence of Oxide Surfaces on H2 Production under Ionizing Radiation | HTML
Publications • Rossini Group • Iowa State University
Angewandte Chemie International Edition: Early View
A smart and responsive crystalline porous organic cage membrane with switchable pore apertures for graded molecular sieving | Nature Materials
Chemical approaches to cryopreservation | Nature Reviews Chemistry
Radiation-resistant metal-organic framework enables efficient separation of krypton fission gas from spent nuclear fuel | Nature Communications
The Pursuit of Shortwave Infrared-Emitting Nanoparticles with Bright Fluorescence through Molecular Design and Excited-State Engineering of Molecular Aggregates | ACS Nanoscience Au
Nuclear spin conservation enables state-to-state control of ultracold molecular reactions | Nature Chemistry
