Jérôme F. Gonthier
Science Wares (United States)(US)ARES (United States)
Publications by Year
Research Areas
Quantum Computing Algorithms and Architecture, Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Quantum Information and Cryptography, Machine Learning in Materials Science
Most-Cited Works
- → Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability(2017)1,217 cited
- → Quantum algorithms for electronic structure calculations: Particle-hole Hamiltonian and optimized wave-function expansions(2018)367 cited
- → Ligand‐Controlled Regiodivergent Pathways of Rhodium(III)‐Catalyzed Dihydroisoquinolone Synthesis: Experimental and Computational Studies of Different Cyclopentadienyl Ligands(2014)137 cited
- → Quantification of “fuzzy” chemical concepts: a computational perspective(2012)128 cited
- → Measurements as a roadblock to near-term practical quantum advantage in chemistry: Resource analysis(2022)114 cited
- → π-Depletion as a criterion to predict π-stacking ability(2012)95 cited
- → Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding(2015)78 cited
- → Four-Electron Oxygen Reduction by Tetrathiafulvalene(2011)56 cited
- → Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps(2016)53 cited
- → Branched Alkanes Have Contrasting Stabilities(2010)37 cited