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 6709-6720 of 9,538
Topological indices and<scp>QSPR</scp>/<scp>QSAR</scp>analysis of some antiviral drugs being investigated for the treatment of<scp>COVID</scp>‐19 patients
Syed Ajaz K. Kirmani, Parvez Ali, Faizul Azam
Toward a Holistic Understanding of the Formation and Growth of Atmospheric Molecular Clusters: A Quantum Machine Learning Perspective
Jonas Elm
Towards quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states
Nicholas P. Bauman, Hongbin Liu, Eric J. Bylaska, S. Krishnamoorthy, Guang Hao Low, Christopher E. Granade, N. Wiebe, Nathan A. Baker, B. Peng, M. Roetteler, M. Troyer, K. Kowalski
Towards the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space
Stefan Heinen, Guido Falk von Rudorff, O. Anatole von Lilienfeld
Tracking the electronic oscillation in molecule with tunneling microscopy
Rulin Wang, Fuzhen Bi, Wencai Lu, Xiao Zheng, ChiYung Yam
Transport and localization of light inside a dye-filled microcavity
Himadri S. Dhar, João D. Rodrigues, Benjamin T. Walker, Rupert F. Oulton, Robert A. Nyman, Florian Mintert
Trigonal Bipyramidal V<sup>3+</sup> Complex as an Optically Addressable Molecular Qubit Candidate.
Fataftah MS, Bayliss SL, Laorenza DW, Wang X, Phelan BT, Wilson CB, Mintun PJ, Kovos BD, Wasielewski MR, Han S, Sherwin MS, Awschalom DD, Freedman DE.
Two-dimensional spectroscopy beyond the perturbative limit: the influence of finite pulses and detection modes
André Anda, Jared H. Cole
Two-photon absorption of time-frequency-entangled photon pairs by molecules: the roles of photon-number correlations and spectral correlations
Michael G. Raymer, Tiemo Landes, Markus Allgaier, Sofiane Merkouche, Brian J. Smith, Andrew H. Marcus
Ultra-Compact accurate wave functions for He-like and Li-like iso-electronic sequences and variational calculus. I. Ground state
A. V. Turbiner, J. C. Lopez Vieyra, J. C. del Valle, D. J. Nader
Ultrafast dynamics of photo-excited 2-thiopyridone: Theoretical insights into triplet state population and proton transfer pathways
Jesper Norell, Michael Odelius, Morgane Vacher
Ultrafast single-photon detection based on optical Kerr gates at GHz rates
Abdul-Hamid Fattah, Assegid Mengistu Flatae, Amr Farrag, Mario Agio