Quantum Chemistry
8,744 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 3505-3516 of 8,744
A fast hemostatic and enhanced photodynamic 2-dimensional metal-organic framework loaded aerogel patch for wound management.
Wang Y, Nie X, Lv Z, Hao Y, Wang Q, Wei Q
A General Nonbonded Force Field Based on Accurate Quantum Mechanics Calculations for Elements H–La and Hf–Rn
Wenjia Luo, William A. Goddard
A Liquid-Core Fiber Platform for Classical and Entangled Two-Photon Absorption Measurements
Kristen M. Parzuchowski, Michael D. Mazurek, Charles H. Camp, Martin J. Stevens, Ralph Jimenez
A Machine Learning Force Field for Bio-Macromolecular Modeling Based on Quantum Chemistry-Calculated Interaction Energy Datasets
Zhen-Xuan Fan, Sheng D. Chao
A methodical approach to evaluate the potential of Quantum Computing for Manufacturing Simulations
Stefan Schröder, João Felipe, Sven Danz, Pascal Kienast, Alessandro Ciani, Philipp Ganser, Thomas Bergs
A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations
Thomas Campbell, Pontus Svensson, Brett Larder, Daniel Plummer, Sam M. Vinko, Gianluca Gregori
A New Metal-Free Molecular Perovskite-Related Single Crystal with Quantum Wire Structure for High-Performance X-Ray Detection.
Cui Q, Liu X, Li N, Zeng H, Chu D, Li H, Song X, Xu Z, Liu Y, Zhu H, Zhao K, Liu SF
A novel Kagome uud-ddu spin order in Heisenberg spin-1/2 Clinoatacamite Cu$_4$(OH)$_6$Cl$_2$, the parent compound of Herbertsmithite
X. G. Zheng, M. Hagihala, I. Yamauchi, E. Nishibori, T. Honda, T. Yuasa, C. -N. Xu
A Numerical Simulation Study of the Impact of Kesterites Hole Transport Materials in Quantum Dot-Sensitized Solar Cells Using SCAPS-1D
Sindisiwe Jakalase, Azile Nqombolo, Edson L. Meyer, Mojeed A. Agoro, Nicholas Rono
A phase-space view of vibrational energies without the Born-Oppenheimer framework
Xuezhi Bian, Cameron Khan, Titouan Duston, Jonathan Rawlinson, Robert G. Littlejohn, Joseph E. Subotnik
A physics-inspired evolutionary machine learning method: from the Schrödinger equation to an orbital-free-DFT kinetic energy functional
Juan I. Rodriguez, Ulises A. Vergara-Beltran
A Primer on 2D Descriptors in Selectivity Modeling for Asymmetric Catalysis.
Sidorov P, Tsuji N