Quantum Chemistry

440 papers for year 2021

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 1-12 of 440

‘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

(INVITED) New Strategies for Solar Cells Beyond the Visible Spectral Range

Fabio Marangi, Matteo Lombardo, Andrea Villa, Francesco Scotognella

2021 DOAJ Optical Materials: X

<scp>CO</scp> oxidation mediated by Al‐doped <scp>ZnO</scp> nanoclusters: A first‐principles investigation

Mehdi D. Esrafili, Farzad Arjomandi Rad

2021 Crossref International Journal of Quantum Chemistry

21st Century Planar Field Emission Theory and its Role in Vacuum Breakdown Science

Richard G. Forbes

2021 arXiv arXiv preprint

A case study of variational quantum algorithms for a job shop scheduling problem

David Amaro, Matthias Rosenkranz, Nathan Fitzpatrick, Koji Hirano, Mattia Fiorentini

2021 arXiv arXiv preprint

A complex Gaussian approach to molecular photoionization

Abdallah Ammar, Lorenzo Ugo Ancarani, Arnaud Leclerc

2021 arXiv arXiv preprint

A comprehensive computational investigations on the physical properties of <scp>TiXSb</scp> (X: Ru, Pt) <scp>half‐Heusler</scp> alloys and <scp>Ti<sub>2</sub>RuPtSb<sub>2</sub></scp> double <scp>half‐Heusler</scp>

Youcef Rached, Messaoud Caid, Mostefa Merabet, Salaheddine Benalia, Habib Rached, Lakhdar Djoudi, Mohamed Mokhtari, Djamel Rached

2021 Crossref International Journal of Quantum Chemistry

A Continuous Time Quantum Monte Carlo as an Impurity Solver for Strongly Correlated System

R.K. Rai, R.B. Ray, G.C. Kaphle, O.P. Niraula

2021 Crossref Journal of Nepal Physical Society

A critical discussion of different methods and models in Casimir effect

Iver Brevik, Boris Shapiro

2021 arXiv arXiv preprint

A Highly Sensitive and Selective Probe for the Colorimetric Detection of Mn(II) Based on the Antioxidative Selenium and Nitrogen Co-Doped Carbon Quantum Dots and ABTS•+

Qinhai Xu, Xiaolin Liu, Yanglin Jiang, Peng Wang

2021 DOAJ Frontiers in Chemistry

A Microscopic Quantum Model For the Experiment Coupling Qubits to a Tardigrade

Vlatko Vedral

2021 arXiv arXiv preprint

A new channel for excitonic transport in the FMO complex

Daniel López Díaz, Gabriel Gil, Augusto González

2021 arXiv arXiv preprint