Quantum Chemistry
434 papers for year 2020
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 397-408 of 434
Time molecules with periodically driven interacting qubits
K. V. Shulga, I. Vakulchyk, Y. Nakamura, S. Flach, M. V. Fistul
Time-Delayed Magnetic Control and Narrowing of X-Ray frequency Spectra in Two-Target Nuclear Forward Scattering
Po-Han Lin, Yen-Yu Fu, Wen-Te Liao
Time-Dependent Self Consistent Harmonic Approximation: Anharmonic nuclear quantum dynamics and time correlation functions
Lorenzo Monacelli, Francesco Mauri
Tomographic imaging of complete quantum state of matter by ultrafast diffraction
Ming Zhang, Shuqiao Zhang, Haitan Xu, Hankai Zhang, Xiangxu Mu, R. J. Dwayne Miller, Anatoly Ischenko, Oriol Vendrell, Zheng Li
Too big, too small or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems
Diptarka Hait, Yu Hsuan Liang, Martin Head-Gordon
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.