Minnesota Supercomputing Institute

Recent papers from Minnesota Supercomputing Institute

1. Sensorimotor recovery, neuropathic pain reduction, and neuroplasticity changes following cognitive multisensory rehabilitation or adaptive fitness in adults with spinal cord injury: a feasibility pilot randomized controlled trialFrontiers in Pain Research · 2026
2. Revisiting atmospheric sulfur chemistry: Acid-catalyzed pathways do not control H 2 SO 4 formationProceedings of the National Academy of Sciences · 2026
3. Diffusion MRI Processing in the HEALthy Brain and Child Development Study: Innovations and ApplicationsDevelopmental Cognitive Neuroscience · 2026
4. Vertical Excitation Energies in Solution via a Two-Time-Scale Solvation Model Coupled to Pair-Density Functional Theory2026
5. Resolving the Structures of AlM ₂ O ₄ ⁺ (M = Fe, Co) through Multireference MethodsJournal of the American Chemical Society · 2026
6. Atmospheric Oxidation Kinetics of Monochloramine by Hydroxyl Radical, Carbonyl Oxide, and Sulfur Trioxide Catalyzed by WaterThe Journal of Physical Chemistry A · 2026
7. Reinventing Density Functional Theory with Machine Learning on Integral FeaturesJournal of Chemical Theory and Computation · 2026
8. Dynamics of Electronically Inelastic and Reactive Collisions of O( ¹ D) with N ₂ Based on Machine-Learned Coupled Potential Energy SurfacesJournal of Chemical Theory and Computation · 2026
9. Linearized Pair-Density Functional Theory with Spin–Orbit CouplingJournal of Chemical Theory and Computation · 2025
10. Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional TheoryThe Journal of Physical Chemistry Letters · 2025
11. Effects of Caprylic Acid on the Cecal Colonization of Multidrug-Resistant Salmonella Heidelberg and the Cecal Microbiome in Broiler ChickensPoultry · 2025
12. Oral Prodrug of a Novel Glutathione Surrogate Reverses Metabolic Dysregulation and Attenuates Neurodegenerative Process in Transgenic Alzheimer’s MiceACS Pharmacology & Translational Science · 2025
13. Criegee Intermediates Compete Well with OH as a Cleaning Agent for Atmospheric AmidesJournal of the American Chemical Society · 2025
14. Introduction to Relativistic Electronic Structure CalculationsThe Journal of Physical Chemistry A · 2025
15. Criegee Intermediates Significantly Reduce Atmospheric (CF₃)₂CFCNJournal of the American Chemical Society · 2025
16. Learning Multiple Potential Energy Surfaces by Automated Discovery of a Compatible RepresentationJournal of Chemical Theory and Computation · 2025
17. Improvement of Fourteen Coupled Global Potential Energy Surfaces of ³ A′ States of O + O ₂The Journal of Physical Chemistry A · 2025
18. Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm–Dancoff MethodJournal of Chemical Theory and Computation · 2025
19. Less-Dominant Resonance Configuration of Propargyl Radical Leads to a Growth Mechanism for Polycyclic Aromatic Hydrocarbons that Preserves the Cyclopenta RingJournal of the American Chemical Society · 2025
20. Role of Hidden Grenier Phases in Topotactic Phase Transitions in La1–xSrxCoO3−δACS Applied Materials & Interfaces · 2025