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 409-420 of 9,538
Benchmarking Orbital-Free Density-Potential Functional Theory of Electrified Metal-Solution Interfaces.
Li C, Wang X, Eikerling M, Huang J
Benchmarking quantum kernels and modern vision models for compound facial expression recognition.
Florestiyanto MY, Surjono HD, Jati H.
Benchmarking Quantum Simulations of the Lipkin-Meshkov-Glick Model Using Large Tensor Networks
Maggie Bao, Rushil Dandamudi, Jerimiah Wright, Joan Étude Arrow, Henry Zou, Vardaan Sahgal, Brian J. McDermott
Benchmarking quantum trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo
Rod Rofougaran, Neil Mehta, Katherine Klymko, Pooja Rao, J. Wayne Mullinax, Samuel Stein, Norm M. Tubman, Ermal Rrapaj
Benzenehexathiol-Based Conjugated Coordination Polymers: A Decade of Breakthroughs in High Conductivity and Quantum Phenomena.
Huang X, Xu W
Benzoselenadiazole-Based Photosensitizers: Effect of Substituent Position on the Electrochemical, Photophysical, and Photochemical Properties.
Cabral MGB, Marek-Urban PH, Socha K, Urbanowicz KA, Decarli NO, Abatti PP, Erfurt K, Gallardo H, McClenaghan ND, Blacha-Grzechnik A, Ferreira M
Berry pomace-derived carbon quantum dots for antimicrobial active packaging: Hydrothermal synthesis, characterization, and performance evaluation
Shan Wang, Xinhui Zhang, Yaqiong Wu, Fuliang Cao, Weilin Li, Donglu Fang
Better accuracy with fewer qubits: Single-particle basis set optimization for quantum chemistry on quantum computers
Subimal Deb, V. S. Prasannaa
Beyond 800 nm: recent progress in high-performance near-infrared thermally activated delayed fluorescence based OLEDs.
Li S, Zhou X, Xu L, Yu C, Liu J, Yan S, Ren Z
Beyond Dealumination: Does Fluorine Reshape Zeolitic Acidity?
Song L, Morlanés N, Abou Hamad E, Ruiz-Martínez J
Beyond electronic stabilization: towards a multicomponent conceptual density-functional theory for positron-driven bonding.
Chamorro E, De Proft F, Reyes A
Beyond Histone Demethylation: Mechanisms of N‑Alkyl Consecutive Oxidations by the Non-Heme Fe(II)/2-Oxoglutarate Oxygenase KDM6B.
Jaber Sathik Rifayee SB, Devadas S, Thomas MG, Varada B, Sommer E, Talaba C, Schofield C, Christov CZ