Atlanta University Center

Recent papers from Atlanta University Center

1. The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry projectThe Journal of Chemical Physics · 2026
2. Deep mutational scanning of SARS ‐ CoV ‐2 nucleocapsid reveals regional stability patternsProtein Science · 2026
3. Dynamic Temperature Modeling Predicts Mortality in Murine SepsisShock · 2026
4. Development of an Automatic On-Line Desalination Tube Switching System for LC/MSJournal of the Mass Spectrometry Society of Japan · 2026
5. A Vibrational Probe of Electrical Doping in N2200 and Fermi-Level Alignment at Polymer Cathode/Metal Cocatalyst/Electrolyte JunctionsJournal of the American Chemical Society · 2026
6. Growth-Inhibitory Activity of a Clerodane Diterpene from Callicarpa americana Leaf Extracts and Its Derivatives against Cutibacterium acnesACS Infectious Diseases · 2026
7. Computational spectroscopy using MULTIMODE and machine-learned potentialsThe Journal of Chemical Physics · 2026
8. The Objectives and Material Contents of Elementary Accounting Courses for Accounting Majors and of Courses for Majors in Fields Other Than Accounting.The Accounting Review · 1954
9. Test-Checking and the Poisson Distribution.The Accounting Review · 1954
10. Does the diffuse OH-stretch band in the IR spectrum of protonated oxalate exhibit quantum chaos?The Journal of Chemical Physics · 2026
11. Abstract DP076: Thrombectomy vs Thrombolysis vs Bridging Therapy in Late-Window Stroke with Salvageable Tissue: A Network Meta-Analysis of Randomized Controlled TrialsStroke · 2026
12. A Rotationally Invariant Cartesian Ansatz for the Bond‐Order Charge‐Density Matrix Approach to Learning Potential Energy SurfacesInternational Journal of Quantum Chemistry · 2026
13. Volunteering and Metabolic Syndrome and Diabetes in Black Adolescents From Low-Income FamiliesJAMA Network Open · 2026
14. Asymmetric C–H Functionalization of Bicyclo[2.1.1]hexanes and Their 2-Oxa- and 2-Aza Derivatives via Rhodium Carbene IntermediatesJournal of the American Chemical Society · 2026
15. Noncovalent Interaction Energies with Phaseless Auxiliary-Field Quantum Monte CarloJournal of Chemical Theory and Computation · 2025
16. Thermal Weight Determination and Interstate Coupling in State-Averaged ADAPT-VQEJournal of Chemical Theory and Computation · 2025
17. “Gold-Standard” Δ-Machine Learned Transferable Potential for Linear AlkanesThe Journal of Physical Chemistry Letters · 2025
18. Static disorder-induced renormalization of polariton group velocityThe Journal of Chemical Physics · 2025
19. The energy landscape of folding in n-C14H30 described by a machine-learned potentialThe Journal of Chemical Physics · 2025
20. Enantioselective and Diastereoselective Synthesis of Azaspiro[n.2]alkanes by Rhodium-Catalyzed CyclopropanationsACS Catalysis · 2025