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 1621-1632 of 9,538
How to Use Quantum Chemistry for Analyzing Mass Spectrometry Data
Kim Greis
How vibrational excitation shakes up the UV/VIS spectrum: A 2D-VE study.
Masood HMA, Brunst H, Horz M, Wille G, van Wilderen LJGW, Burghardt I, Bredenbeck J
Hunting for quantum advantage in electronic structure calculations is a highly non-trivial task
Örs Legeza, Andor Menczer, Miklós Antal Werner, Sotiris S. Xantheas, Frank Neese, Martin Ganahl, Cole Brower, Samuel Rodriguez Bernabeu, Jeff Hammond, John Gunnels
Hybrid Acousto-Optical Spin Control in Quantum Dots.
Kuniej M, Machnikowski P, Gawełczyk M.
Hybrid analytical-neural network modeling of long-range interactions for molecular collisions.
Duan X, Hong Y, Fang Y, Huang J, Zhang DH
Hybrid antiferroelectric-ferroelectric domain walls in noncollinear antipolar oxides.
Ushakov IN, Topstad M, Khalid MZ, Sharma N, Grams CP, Ludacka U, He J, Hunnestad KA, Sadeqi-Moqadam M, Glaum J, Selbach SM, Hemberger J, Becker P, Bohatý L, Kumar A, Íñiguez-González J, van Helvoort ATJ, Meier D
Hybrid HPC-Quantum Simulations: DFT-Quantum Embedding for Molecular Systems
Namrata Manglani, Samrit Maity, Shashank Sharma, Tejjan Arora, Soham Phulare, Shreyas Kadam, Sanjay Wandhekar
Hybrid hydrogel-nanocarrier antimicrobial photodynamic therapy with Allura red against clostridium perfringens under oxygen-limited (hypoxic) conditions: An in vitro proof-of-concept.
Majeed HA
Hybrid Integration of Tunnel-Junction InGaN/GaN and Wafer-Bonded AlGaInP/GaInP for Full-Color Micro-LEDs.
Park J, Youn EJ, Kim HS, Baek WJ, Oh SA, Cho IS, Kim DS, Lim WT, Lee JB, Park JH, Kim JG, Min JH, Park HH, Kim S
Hybrid ML/MM Simulations for Computational Enzymology: Recent Advances and Challenges.
Sha X, Wu C, Xie D, Zhou Y
Hybrid quantum annealing for price optimization under cross‑elastic demand
Ricardo Pérez-Castillo, Fernando Lorente
Hybrid Quantum-Classical Simulations of Graphene Analogues: Adsorption Energetics Beyond DFT.
Rayabharam A, Aluru NR.