Papers matching “ab initio quantum chemistry” 18
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Ab Initio Polaritonic Chemistry on Diverse Quantum Computing Platforms: Qubit, Qudit, and Hybrid Qubit-Qumode Architectures2025 arXiv (Cornell University) preprint Physics and Astronomy Strong Light-Matter Interactions Open access
Even Chiari, Wafa Makhlouf, Lucie Pepe, Emiel Koridon, Johanna Klein, Bruno Senjean, +2 more
0citations -
Ab initio polaritonic chemistry on diverse quantum computing platforms: Ansatz circuit design for qubit, qudit, and hybrid qubit-qumode architectures2025 Physical Review A article Computer Science Quantum Computing Algorithms and Architecture Open access
Even Chiari, Wafa Makhlouf, Lucie Pepe, Emiel Koridon, Johanna Klein, Bruno Senjean, +1 more
2citations -
A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets. Open data set2021 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Magnetism in coordination complexes Open access
Elena Garlatti, Alessandro Chiesa, Pietro Bonfà, Emilio Macaluso, Ifeanyi John Onuorah, Vijay S. Parma, +11 more
0citations -
A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets. Open data set2021 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Magnetism in coordination complexes Open access
Elena Garlatti, Alessandro Chiesa, Pietro Bonfà, Emilio Macaluso, Ifeanyi John Onuorah, Vijay S. Parma, +11 more
0citations -
Solid‐state quantum chemistry with ΘΦ ( ThetaPhi ): Spin‐liquids , superconductors, and magnetic superstructures made computationally available2021 Journal of Computational Chemistry article Physics and Astronomy Physics of Superconductivity and Magnetism
Andrei L. Tchougréeff, Evgeny A. Plekhanov, Richard Dronskowski
5citations -
Experimental and theoretical evidence for the temperature-determined evolution of PAH functional groups2020 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies Open access
Peng Liu, Bingjie Chen, Zepeng Li, Anthony M. Bennett, Salim Sioud, Heinz G. Pitsch, +2 more
18citations -
Gas phase Elemental abundances in Molecular cloudS (GEMS)2020 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access
Niyazi Bulut, Octavio Roncero, Alfredo Aguado, Jean‐Christophe Loison, D. Navarro-Almaida, Valentine Wakelam, +34 more
27citations -
Polycyclic Aromatic Hydrocarbons Evolution and Interactions with Soot Particles During Fuel Surrogate Combustion: A Rate Rule-Based Kinetic Model2021 SAE technical papers on CD-ROM/SAE technical paper series conference-paper Chemical Engineering Advanced Combustion Engine Technologies
Luna Pratali Maffei, Matteo Pelucchi, Tiziano Faravelli, Heinz G. Pitsch, Qian Mao, Andrea Nobili
3citations
18 results