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 6637-6648 of 9,538

Reducing qubit requirements while maintaining numerical precision for the Variational Quantum Eigensolver: A Basis-Set-Free Approach

Jakob S. Kottmann, Philipp Schleich, Teresa Tamayo-Mendoza, Alán Aspuru-Guzik

2020 arXiv arXiv preprint

Resonant collisional shielding of reactive molecules using electric fields

Kyle Matsuda, Luigi De Marco, Jun-Ru Li, William G. Tobias, Giacomo Valtolina, Goulven Quéméner, Jun Ye

2020 arXiv arXiv preprint

Resonant Interaction of Modulation-correlated Quantum Electron Wavepackets with Bound Electron States

Avraham Gover, Bin Zhang, Du Ran, Reuven Ianconescu, Aharon Friedman, Jacob Scheuer, Amnon Yariv

2020 arXiv arXiv preprint

RNA-2QCFA: Evolving Two-way Quantum Finite Automata with Classical States for RNA Secondary Structures

Amandeep Singh Bhatia, Shenggen Zheng

2020 arXiv arXiv preprint

Roadmap on Atomtronics: State of the art and perspective

L. Amico, M. Boshier, G. Birkl, A. Minguzzi, C. Miniatura, L. -C. Kwek, D. Aghamalyan, V. Ahufinger, D. Anderson, N. Andrei, A. S. Arnold, M. Baker, T. A. Bell, T. Bland, J. P. Brantut, D. Cassettari, W. J. Chetcuti, F. Chevy, R. Citro, S. De Palo, R. Dumke, M. Edwards, R. Folman, J. Fortagh, S. A. Gardiner, B. M. Garraway, G. Gauthier, A. Günther, T. Haug, C. Hufnagel, M. Keil, W. von Klitzing, P. Ireland, M. Lebrat, W. Li, L. Longchambon, J. Mompart, O. Morsch, P. Naldesi, T. W. Neely, M. Olshanii, E. Orignac, S. Pandey, A. Pérez-Obiol, H. Perrin, L. Piroli, J. Polo, A. L. Pritchard, N. P. Proukakis, C. Rylands, H. Rubinsztein-Dunlop, F. Scazza, S. Stringari, F. Tosto, A. Trombettoni, N. Victorin, D. Wilkowski, K. Xhani, A. Yakimenko

2020 arXiv arXiv preprint

Robust Spin Interconnect with Isotropic Spin Dynamics in Chemical Vapour Deposited Graphene Layers and Boundaries

Dmitrii Khokhriakov, Bogdan Karpiak, Anamul Md. Hoque, Bing Zhao, Subir Parui, Saroj P. Dash

2020 arXiv arXiv preprint

Room-temperature quasi-continuous-wave pentacene maser pumped by an invasive Ce:YAG luminescent concentrator

Hao Wu, Xiangyu Xie, Wern Ng, Seif Mehanna, Yingxu Li, Max Attwood, Mark Oxborrow

2020 arXiv arXiv preprint

Scientific intuition inspired by machine learning generated hypotheses

Pascal Friederich, Mario Krenn, Isaac Tamblyn, Alan Aspuru-Guzik

2020 arXiv arXiv preprint

Searching spin-mass interaction using a diamagnetic levitated magnetic resonance force sensor

Fang Xiong, Tong Wu, Yingchun Leng, Rui Li, Changkui Duan, Xi Kong, Pu Huang, Zhengwei Li, Yu Gao, Xing Rong, Jiangfeng Du

2020 arXiv arXiv preprint

Self-consistent Møller-Plesset Perturbation Theory For Excited States

Hong-Zhou Ye, Troy Van Voorhis

2020 arXiv arXiv preprint

Sensing of toxic Lewisite (L<sub>1</sub>, L<sub>2</sub>, and L<sub>3</sub>) molecules by graphdiyne nanoflake using density functional theory calculations and quantum theory of atoms in molecule analysis

Sidra Khan, Hasnain Sajid, Khurshid Ayub, Tariq Mahmood

2020 Crossref Journal of Physical Organic Chemistry

Sequential optical response suppression for chemical mixture characterization

Alicia B. Magann, Gerard McCaul, Herschel A. Rabitz, Denys I. Bondar

2020 arXiv arXiv preprint