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 5857-5868 of 9,538

Variational quantum eigensolver for causal loop Feynman diagrams and directed acyclic graphs

Giuseppe Clemente, Arianna Crippa, Karl Jansen, Selomit Ramírez-Uribe, Andrés E. Rentería-Olivo, Germán Rodrigo, German F. R. Sborlini, Luiz Vale Silva

2022 arXiv arXiv preprint

Variational quantum eigensolver for the Heisenberg antiferromagnet on the kagome lattice

Joris Kattemölle, Jasper van Wezel

2022 Crossref Physical Review B

Variational Quantum Non-Orthogonal Optimization

Pablo Bermejo, Roman Orus

2022 arXiv arXiv preprint

Variational quantum state eigensolver

M. Cerezo, Kunal Sharma, Andrew Arrasmith, Patrick J. Coles

2022 DOAJ npj Quantum Information

Variational theory of angulons and their rotational spectroscopy

Zhongda Zeng, Enderalp Yakaboylu, Mikhail Lemeshko, Tao Shi, Richard Schmidt

2022 arXiv arXiv preprint

Vertical Architecture Solution-Processed Quantum Dot Photodetectors with Amorphous Selenium Hole Transport Layer

Atreyo Mukherjee, Haripriya Kannan, Le Thanh Triet Ho, Zhihang Han, Jann Stavro, Adrian Howansky, Neha Nooman, Kim Kisslinger, Sébastien Léveillé, Orhan Kizilkaya, Xiangyu Liu, Håvard Mølnås, Shlok Joseph Paul, Dong Hyun Sung, Elisa Riedo, Abdul Rumaiz, Dragica Vasileska, Wei Zhao, Ayaskanta Sahu, Amir H. Goldan

2022 Crossref ACS Photonics

Vibrational response functions for multidimensional electronic spectroscopy in non-adiabatic models

Filippo Troiani

2022 arXiv arXiv preprint

Vibropolaritonic Reaction Rates in the Collective Strong Coupling Regime: Pollak-Grabert-Hänggi Theory

Matthew Du, Yong Rui Poh, Joel Yuen-Zhou

2022 arXiv arXiv preprint

ViSNet: an equivariant geometry-enhanced graph neural network with vector-scalar interactive message passing for molecules

Yusong Wang, Shaoning Li, Xinheng He, Mingyu Li, Zun Wang, Nanning Zheng, Bin Shao, Tie-Yan Liu, Tong Wang

2022 arXiv arXiv preprint

Wavefunction matching for solving quantum many-body problems

Serdar Elhatisari, Lukas Bovermann, Yuanzhuo Ma, Evgeny Epelbaum, Dillon Frame, Fabian Hildenbrand, Myungkuk Kim, Youngman Kim, Hermann Krebs, Timo A. Lähde, Dean Lee, Ning Li, Bing-Nan Lu, Ulf-G. Meißner, Gautam Rupak, Shihang Shen, Young-Ho Song, Gianluca Stellin

2022 arXiv arXiv preprint

Why Ortho- and Para-Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

Ioan Bâldea

2022 DOAJ Molecules

‘Why don’t you just tell us what light really is?’ Easy-to-implement teaching materials that link quantum physics to nature of science

Kirsten Stadermann, Martin Goedhart

2021 Crossref Physics Education