Quantum Chemistry
8,661 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 2101-2112 of 8,661
Quantum-logic spectroscopy of forbidden vibrational transitions in single nitrogen molecular ions
Aleksandr Shlykov, Meissa L. Diouf, Richard Karl, Mikolaj Roguski, Umesh C. Joshi, Stefan Willitsch
Quantum-Transport Informed Machine Learning for Identifying Tobacco-Induced Regioisomeric DNA Adducts.
Maurya D, Mittal S, Chatterjee D, Pathak B
Quantum‐Chemical Evaluation of the Interaction Between the <i>Mycobacterium tuberculosis</i> Dihydrofolate Reductase Enzyme With Classical and Potential Inhibitors
José Xavier de Lima Neto, Umberto Laino Fulco, Valder Nogueira Freire
QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein Structures
David W. Kastner, Weiliang Luo, Wilson Ho, Clorice R. Reinhardt, Allison Keys, Heather J. Kulik
Quasi-molecular perspective on the planarity of 2D materials: the case of 2D MoS(2).
Varandas AJC
Qubit-efficient variational algorithm for nuclear structure
Chandan Sarma, Paul Stevenson
Quercetin targets cytochrome P450 enzyme (CYP1A2) in colorectal cancer.
Ganji SP, Behera SK, Reddy NR, Chowdary TVP, Nukala SSV, Alam A, Nagaraju GP, Srilatha M
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation.
Tripathy V, Palos E, Merz KM Jr, Paesani F, Götz AW
Quinoid-controlled bond-length alternation enables high-mobility non-fused π-conjugated polymers.
Mikie T, Iguchi K, Kamimura R, Tanaka K, Ishii H, Osaka I
QUIVER: Quantum-Informed Views for Enhanced Representations in Large ML Models
Aritra Bal, Michael Binder, Markus Klute, Benedikt Maier, Michael Spannowsky
Qumode-Based Variational Quantum Eigensolver for Molecular Excited States.
Dutta R, Cianci C, Soudackov AV, Wang Y, Xu C, Mazziotti DA, Santos LF, Batista VS.
Raman relaxation in Yb(III) molecular qubits: non-trivial correlations between spin-phonon coupling and molecular structure
Giacomo Sansone, Lorenzo A. Mariano, Stefano Carretta, Paolo Santini, Alessandro Lunghi