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 3685-3696 of 9,538
Vanadyl Porphyrin Complex Functionalized with Nitronyl Nitroxide.
Zimina AM, Shmakov AS, Stepanov AV, Lisyukova A, Zayakin IA, Sosunov EA, Gritsan NP, Dmitriev AA, Akimov AV, Tretyakov EV
Vapor Phase Assembly of Molecular Emitter Crystals for Photonic Integrated Circuits
Arya D. Keni, Christian M. Lange, Adhyyan S. Mansukhani, Emma Daggett, Ankit Kundu, Ishita Agarwal, Patrick Bak, Benjamin Cerjan, Jonathan D. Hood
Vapor-deposited copper iodide cluster-based light-emitting diodes for pico-projector.
Luo Y, Yang L, Zhang X, Ou J, Wang F, Tang J, Luo J
Variable size graphene quantum dot–serum albumin theranostic nano assemblies for doxorubicin delivery and tumor imaging: A density functional theory and molecular docking study
Feroz A. Najar, Paramita Haldar
Variance reduction for forces and pressure in variational Monte Carlo
David Linteau, Saverio Moroni, Giuseppe Carleo, Markus Holzmann
Variance reduction methods in the estimation of Pauli sums
Søren Fuglede Jørgensen, Rafael Emilio Barfknecht, Patrick Ettenhuber, Nikolaj Thomas Zinner
Variational low-energy subspaces for chemically accurate excited states
Clemens Giuliani, Rocco Martinazzo, Giuseppe Carleo, Riccardo Rossi
Variational Quantum Circuit Parameterization of SchNet: A Simulator-Based Feasibility Study for Conservative Molecular Force Fields
Hoang - Anh Nguyen, Nhu - Duc Dinh, Viet - Hung Tran, Tu - Uyen Le Tu, Tien - Lam Pham, Van - Duy Nguyen
Variational Quantum Eigensolver for the Analysis of High-Resolution NMR Spectra: Applications to AB and AB2 Spin Systems
Murat Kurt, Ayda Kaltehei, Selçuk Çakmak, Azmi Gençten
Variational Quantum Eigensolver-Based Quantum Bootstrap Embedding for Molecules
Derek Peng
Variationally Compressing Quantum Circuits to Approximate Nonadiabatic Molecular Quantum Dynamics
Joshua M. Courtney, P. C. Stancil
VC quantum dots loaded on hg-C3N4 for high-performance hydrogen evolution electrocatalysts: a first-principles study
Jiaji Liang, Yu Zhang, Bo Zhang, Ruhao Yang, Haoran Peng, Yujiao Liang, Xiuli Fu