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 385-396 of 9,538
Augmenting Large Language Models for Automated Discovery of F-Element Extractants.
Zhang B, Summers TJ, Augustine LJ, Taylor MG, Geist A, Li R, Batista ER, Perez D, Yang P, Schrier J
AuPdPt Ternary Alloy Nanoparticles for Highly Active Hydrogen Evolution Reaction.
Maruta Y, Toriyama T, Yamamoto T, Murakami Y, Kawaguchi S, Kubota Y, Kitagawa H, Kusada K
Aurophilic interactions in a mixed-valent Au(I/III) 4-cyanothiazole complex.
Ejnik M, Ponikiewski Ł, Bruździak P, Dołęga A
Author Correction: Gate tuning of coupled electronic and structural phase transition in atomically thin Ta(2)NiSe(5).
Wei K, Luo Y, Watanabe K, Taniguchi T, Guo Y, Xi X
Auto-regressive Neural Quantum State Sampling for Selected Configuration Interaction
Shane Thompson, Daniel Gunlycke
Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis.
Acheson K, Turanyi R, Habershon S
Automated Exploration of Radical-molecule Chemistry: The Case of Oxirane + CH in the Interstellar Medium
Moritz Bensberg, Silvia Alessandrini, Mattia Melosso, Cristina Puzzarini, Markus Reiher
Automated near-term quantum algorithm discovery for molecular ground states
Fabian Finger, Frederic Rapp, Pranav Kalidindi, Kerry He, Kante Yin, Alexander Koziell-Pipe, David Zsolt Manrique, Gabriel Greene-Diniz, Stephen Clark, Hamza Fawzi, Bernardino Romera-Paredes, Alhussein Fawzi, Konstantinos Meichanetzidis
Automated Radiosynthesis of High-Molar-Activity 4-Borono-2-[(18)F]Fluorophenylalanine: Validation in Rodent Tumor Models and Nonhuman Primates.
Ye W, Hu J, Tan Z, Wei J, Liu B, Wei H, Ran W, Zhang S, Hu K, Liang SH, Zhang MR, Xu H, Wang L
Automated Unitary Coupled Cluster Circuit Design via Differentiable Quantum Architecture Search
Jianpeng Chen, Zirui Sheng, Cunxi Gong, Weitang Li
Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics.
Roy IS, Lukas K, Mudimu EL, Towara M, Leonhard K
Autonomous closed-loop framework for reproducible perovskite solar cells.
Gao D, Lu S, Zhang C, Wang N, Yu Z, Sun X, Martin R, Vanin F, Qian L, Long N, Lüer L, Li B, Stolterfoht M, Hou J, Yin J, Lin YH, Lu H, Li N, Gasparini N, Brabec CJ, Stranks SD, Zeng XC, Zhu Z