Quantum Chemistry

9,662 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 1381-1392 of 9,662

Finite bias spin-dependent transport and error rates in L1 <sub>0</sub> -MnAl based perpendicular magnetic tunnel junctions

Rouf Rahman Sheikh, Ram Krishna Ghosh

2026 Crossref Journal of Physics D: Applied Physics

First evaluation of a heteroepitaxial diamond ionization chamber operating at low voltage for diagnostic X-ray dosimetry.

Shinsho K, Koyama K, Hitomi K, Nogami M, Maida O, Onodera T, Kikkawa K, Hashimoto S, Hirai Y, Koba Y, Haga A, Maruyama D, Kim SW

2026 PubMed Medical physics

First principles characterization of spinterfaces between magnetic Cobaltocene molecule and 2D magnets (CrI$_3$, Fe$_3$GeTe$_2$)

Nikola Machacova, Biplab Sanyal

2026 arXiv arXiv preprint

First-principles design of main-group dimer defects in ZnO as candidate quantum defects

Taejoon Park, Erik Alfredo Perez, Shimin Zhang, Yuan Ping, Hosung Seo

2026 arXiv arXiv preprint

First-Principles Electronegativity Scale from the Atomic Mean Inner Potential

Jin-Cheng Zheng

2026 arXiv arXiv preprint

First-principles predictions of band alignment in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures

Nathaniel M. Vegh, Pericles Philippopoulos, Raphaël J. Prentki, Wanting Zhang, Yu Zhu, Félix Beaudoin, Hong Guo

2026 arXiv arXiv preprint

First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface.

Song Y, Li S, Lin P, Li J, Ouyang T, Tang C, He C

2026 PubMed Physical chemistry chemical physics : PCCP

First-principles study of spin-selective transport properties and quantum logic gate operation in transition-metal-capped nanowires.

Adak D, Jana D, Chattopadhyaya M, Sen S

2026 PubMed Physical chemistry chemical physics : PCCP

First‐Principles Insights into Asymmetric Surface Reactivity of Janus <scp>WSTe</scp> Monolayers

Jinying Li, Yifan Wang, He Liu, Chunwei Yang

2026 Crossref International Journal of Quantum Chemistry

Five-Scale Empirical Verification of the Ω-Attractor: From Silicon Parameter Space to Interstellar Trajectory

Vinness Aisingioro Ollervides

2026 OpenAlex Zenodo (CERN European Organization for Nuclear Research)

Flat topological nodal lines in heavy-fermion compound CeCoGe3

Yuting Wang, Weikang Wu, Jianzhou Zhao

2026 DOAJ npj Computational Materials

Flexible Capacitive Synapse with Ultralow Energy Consumption Enabled by a Freestanding BaTiO(3) Membrane.

Hou Z, Shen C, Chen J, Chen S, Zeng M, Hao L, Zhang H

2026 PubMed The journal of physical chemistry letters