Quantum Chemistry
557 papers for year 2023
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 25-36 of 557
A Novel Quasiparticle Method for Solid State Ion Transport
Jiaming Hu
A Proposed Quantum Hamiltonian Encoding Framework for Time Evolution Operator Design of Potential Energy Function
Mostafizur Rahaman Laskar, Kalyan Dasgupta, Atanu Bhattacharya
A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation
Roman Y. Pishchalnikov, Denis D. Chesalin, Vasiliy A. Kurkov, Uliana A. Shkirina, Polina K. Laptinskaya, Vasiliy S. Novikov, Sergey M. Kuznetsov, Andrei P. Razjivin, Maksim N. Moskovskiy, Alexey S. Dorokhov, Andrey Yu. Izmailov, Sergey V. Gudkov
A qubit-ADAPT Implementation for H$_2$ Molecules using an Explicitly Correlated Basis
Hakon Volkmann, Raamamurthy Sathyanarayanan, Alejandro Saenz, Karl Jansen, Stefan Kühn
A sequential dual-lock strategy for generation of room-temperature phosphorescence of boron doped carbon dots for dynamic anti-counterfeiting.
Yang L, Zhang Q, Huang Y, Luo C, Quan Z, Li H, Sun S, Xu Y
A smartphone-assisted ultrasensitive detection of acrylamide in thermally processed snacks using CQD@Au NP integrated FRET sensor.
Pattnayak BC, Mohapatra S
A substitutional quantum defect in WS$_2$ discovered by high-throughput computational screening and fabricated by site-selective STM manipulation
John C. Thomas, Wei Chen, Yihuang Xiong, Bradford A. Barker, Junze Zhou, Weiru Chen, Antonio Rossi, Nolan Kelly, Zhuohang Yu, Da Zhou, Shalini Kumari, Edward S. Barnard, Joshua A. Robinson, Mauricio Terrones, Adam Schwartzberg, D. Frank Ogletree, Eli Rotenberg, Marcus M. Noack, Sinéad Griffin, Archana Raja, David A. Strubbe, Gian-Marco Rignanese, Alexander Weber-Bargioni, Geoffroy Hautier
A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy.
Patra C, Agarawal V, Halder D, Chakraborty A, Mondal D, Halder S, Maitra R
Ab initio quantum scattering calculations and a new potential energy surface for the HCl($X^1Σ^+$)-O$_{2}$($X^3Σ^-_g$) system: collision-induced line-shape parameters for O$_{2}$-perturbed R(0) 0-0 line in H$^{35}$Cl
Artur Olejnik, Hubert Jóźwiak, Maciej Gancewski, Ernesto Quintas-Sánchez, Richard Dawes, Piotr Wcisło
Ab initio transport calculations: from normal to superconducting current
H. Ness, M. van Schilfgaarde
Absence of backscattering in Fermi-arc-mediated conductivity of topological Dirac semimetal Cd$_{3}$As$_{2}$
Vsevolod Ivanov, Lotte Borkowski, Xiangang Wan, Sergey Y. Savrasov
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
Hugh G. A. Burton