Quantum Chemistry

203 papers from Europe PMC

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 61-72 of 203

Coherent manipulation of interacting electron qubits on solid neon

Jin D, Li X, Huang Y, Han X, Zhou X, Yacoby A.

2025 Europe PMC Europe PMC

Coupling a single spin to the motion of a carbon nanotube.

Fedele F, Cerisola F, Bresque L, Vigneau F, Monsel J, Tabanera-Bravo J, Aggarwal K, Dexter J, Sevitz S, Dunlop J, Auffeves A, Parrondo JM, Palyi A, Anders J, Ares N.

2025 Europe PMC Nat Commun

Entangled fingerprints for quantum-encoded chemoinformatics: quantum circuits for molecular similarity in the noisy era.

Shityakov S, Dandekar T.

2025 Europe PMC Front Chem

Instanton-like effect caused by qubit-boson interaction in light of quantum simulation.

Hirokawa M.

2025 Europe PMC Sci Rep

Phase estimation algorithms for quantum enhanced magnetometry with artificial atoms.

Slepnev V, Gubaydullin A, Vinokur V.

2025 Europe PMC Sci Rep

qcMol: a large-scale dataset of 1.2 million molecules with high-quality quantum chemical annotations for molecular representation learning

Gong H, Wang H, Zhang Z.

2025 Europe PMC Europe PMC

Quantum computation of the electronic structure of some prototype solids.

Khandelwal N, Verma N, Jamdagni P, Kumar A.

2025 Europe PMC Sci Rep

Quantum geometrical molecular dynamics.

Xie Y, Liu R, Gu B.

2025 Europe PMC Sci Adv

Rigidifying Qubit Candidates in a Cu‐Porphyrin Nanohoop: Dipolar Coupling in Spin Pairs and Spin‐Polarized Ground State

Chang X, Redman A, Zedler L, Blechschmidt L, Sacristán‐Martín A, Schwer F, Imaz I, Wiedmaier M, Ribas X, Maspoch D, Dietzek‐Ivanšić B, Richert S, von Delius M.

2025 Europe PMC Angew Chem Int Ed Engl

Spin qubit properties of the boron-vacancy/carbon defect in the two-dimensional hexagonal boron nitride.

Stolbov S, Alcántara Ortigoza M.

2025 Europe PMC J Phys Condens Matter

Chemical Reaction Simulator on Quantum Computers by First Quantization (II)─Basic Treatment: Implementation.

Takahashi H, Tomaru T, Hirano T, Tahara S, Sato F.

2024 Europe PMC J Chem Theory Comput

DNA Gene's Basic Structure as a Nonperturbative Circuit Quantum Electrodynamics: Is RNA Polymerase II the Quantum Bus of Transcription?

Riera Aroche R, Ortiz García YM, Sánchez Moreno EC, Enriquez Cervantes JS, Machado Sulbaran AC, Riera Leal A.

2024 Europe PMC Curr Issues Mol Biol