Quantum Chemistry
9,662 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 433-444 of 9,662
Beyond Photon Shot Noise: Chemical Limits in Spectrophotometric Precision
Georg Engelhardt, Dahai He, JunYan Luo
Beyond the cutoff: Hybrid ML/MM electrostatics for neural network potentials.
Haghiri S, Urbina AS, Slipchenko LV
BEYOND THE PANDEMIC: LIFE POST COVID-19 THROUGH LOSS, GRIEF AND ADJUSTMENT
ZHEN FOONG RAYMOND FOO, IAN SHEN GOH, JANAK ASHOK TECKWANI, MAHPARA REYAZ KHAN, AHMAD MUSTAQIM YUSOFF, ZAINAH AHMAD ZAMANI
Beyond the Score: Fixed-Budget Benchmarking of Virtual Screening Integration Strategies for Decision-Centric Drug Discovery.
Tomarchio EG, Buccheri R, Rescifina A
Beyond the Sum of Its Parts: Alkyl-Chain Engineering Unlocks Dopant-Free Pyrene-Based Antenna Molecules for Efficient Perovskite Solar Cells.
Feng X, Li S, Li J, Zhu Z, Liu W, Chen J, Wang X, Redshaw C, Ouyang X
Beyond the two-conformer model: boat conformers provide stereoselectivity in S(N)1-type glycosylations of manno-type donors.
Remmerswaal WA, Hoogers D, Schoenmakers J, Bickelhaupt FM, Hansen T, Codée JDC
Beyond Unitary Quantum Simulation: Open-System Approaches to Quantum Chemistry toward Quantum Advantage
Michael Marthaler, Elias Zapusek, Florentin Reiter
Beyond VQE and QPE: A Noise- and Sampling-Error-Tolerant Quantum Algorithm with Heisenberg-Limited Precision
Qing-Xing Xie, Zidong Lin, Yun-Long Liu, Yan Zhao
Beyond Wigner sampling: Effect of initial conditions and substitution on simulated ESIPT in salicylidene aniline.
Turcas I, Castet F, Merritt ICD
Bi(14)Rh(3)I(9): Weak topology, crystal chemistry, and emerging functionalities.
Ghimire MP, Basnet P, Belbase B
Bias Analysis and Regularization of Sequential Minimal Optimization in Variational Quantum Eigensolvers
Samuele Pedrielli, Frederik Stalschus, Stefan Kühn, Karl Jansen, Kim A. Nicoli, Shinichi Nakajima
Bias-Switchable Broadband-Narrowband Organic Photodetectors Enabled by Vertical Phase Separation in Thick PM6: Y6 Bulk Heterojunctions.
Bai G, Liu P, Guo M, Yu Y, Jiang J, Hu Y, Teng F