Quantum Simulations (United States)

Recent papers from Quantum Simulations (United States)

1. The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry projectThe Journal of Chemical Physics · 2026
2. Activation of Oxygen Evolution Electrocatalysis via Reduced Ruthenium–Oxygen–Ruthenium CoordinationJournal of the American Chemical Society · 2026
3. Conventional and dual Shapiro steps in small Josephson junctionsPhysical review. B./Physical review. B · 2026
4. The CP-PAW Code Package for First-Principles Calculations from a User’s PerspectiveThe Journal of Physical Chemistry A · 2026
5. Direct Ab Initio Simulation of the Synthesis of BaZrO ₃ and the Microstructure Impacts on Proton TransportACS Nano · 2026
6. Quantitative Impact of a Cognitive Modeling Intelligent Tutoring System on Student Performance in Balancing Chemical EquationsThe Chemical Educator · 2002
7. Accessible Artificial Intelligence-Based Chemistry Tutoring for Blind and Visually Impaired StudentsThe Chemical Educator · 2010
8. Quantitative Impact of an Artificial Intelligence Tutoring System on Student Performance in Assigning Oxidation Numbers in Chemical FormulasThe Chemical Educator · 2010
9. A Model-Tracing Intelligent Tutoring System for Assigning Oxidation Numbers in Chemical FormulasThe Chemical Educator · 2010
10. First-Principles Evaluation of Proton Hopping in Tetrahedral Oxide MotifsChemistry of Materials · 2026
11. The microwave phase locking in Bloch transistorNature Communications · 2026
12. Pathfinding quantum simulations of neutrinoless double-β decayNature Communications · 2026
13. The CP2K Program Package Made SimpleThe Journal of Physical Chemistry B · 2026
14. Voltage-dependent surface IR spectra of water at gold electrodes from machine-learned ab initio dipolesThe Journal of Chemical Physics · 2025
15. Spin non-collinear real-time time-dependent density-functional theory and implementation in the modern GPU-accelerated INQ code2025
16. Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy ApplicationsChemistry of Materials · 2025
17. Observation of a zero-energy excitation mode in the open Dicke modelPhysical Review Research · 2025
18. Entanglement Structure of Non-Gaussian States and How to Measure ItPhysical Review Letters · 2025
19. Heterostructure engineering for wurtzite LaNThe Journal of Chemical Physics · 2025
20. Rapid Initial-State Preparation for the Quantum Simulation of Strongly Correlated MoleculesPRX Quantum · 2025