Quantum Chemistry
9,538 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 2929-2940 of 9,538
RxnNet: An AI Framework for Reaction Mechanism Discovery─A Case Study of Carbocations.
Zev S, Roth M, Narayanan S J J, Major DT
Ryanodane Diterpenoids from Cinnamon and Their Analgesic and Hepatoprotective Effects.
Huang GF, Xie CH, Zou L, Duan SL, Yan BB, Huang SX, Gao CY, Xiao LY, Fan HX, Zhou ZQ, Gao H
S-Scheme Shapes Heterojunction Photocatalysis.
Sayed M, Zhang L, García H, Yu H, Yu J
Sample-based quantum diagonalization approach for open-shell transition-metal complexes in gas and implicit-solvent
David David, Vedangi Pathak, Marek Kowalik, Hamed Mohammadbagherpoor, Vincent Beltrani, Kara Maller, Niall Moroney, Phalgun Lolur
Sample-Based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds
Saurabh Shivpuje, Tanvi P. Gujarati, Richard Van, Frank C. Pickard, Triet Friedhoff, Ieva Liepuoniute, Wade Davis, Gavin O. Jones, Alexey Galda
Sample-Based Quantum Diagonalization with Amplitude Amplification
Nina Stockinger, Ludwig Nützel, Michael J. Hartmann
Sandwich-structured GaIn(Zn)P/ZnSeS@ZnS quantum dots-Ag@Fe(3)O(4)@SiO(2) magnetoplasmonic nanosensor with simulation-driven design for influenza A(H1N1) virus biosensing.
Adeniyi KO, Gray KI, Grillo F, Achadu OJ, Menard H, Adegoke O
Scalable Message-Passing Quantum Graph Neural Networks in the Weisfeiler-Leman Hierarchy
Snehal Raj, Brian Coyle, L\'eo Monbroussou, Andr\'e J. Ferreira-Martins, Renato M. S. Farias, Elham Kashefi
Scalable nuclear shell model calculations on noisy quantum computers
Durgesh Pandey, Ankit Kumar Das, P. Arumugam
Scalable quantum circuit generation for iterative ground state approximation using Majorana Propagation
Rahul Chakraborty, Aaron Miller, Anton Nykänen, Özlem Salehi, Fabio Tarocco, Fabijan Pavošević, Pi. A. B. Haase, Martina Stella, Adam Glos
Scalable Quantum-Classical DFT Embedding for NISQ Molecular Simulation
Namrata Manglani, Samrit Kumar Maity, Ranjit Thapa, Sanjay Wandhekar
Scalable synthesis, characterization, and DFT-machine learning modelling of Ti(3)C(2) MXene quantum dots.
Das S, Raghavan V