Jérôme F. Gonthier

<scp>Psi4</scp> 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith et al. · Journal of Chemical Theory and Computation · 2017 · 1.2K citations · Full text

Engineering, Physics, Electronic Design Automation +13

Quantum algorithms for electronic structure calculations: Particle-hole Hamiltonian and optimized wave-function expansions

Panagiotis Kl. Barkoutsos, Jérôme F. Gonthier, Igor O. Sokolov et al. · Physical review. A/Physical review, A · 2018 · 365 citations · Full text

Ligand‐Controlled Regiodivergent Pathways of Rhodium(III)‐Catalyzed Dihydroisoquinolone Synthesis: Experimental and Computational Studies of Different Cyclopentadienyl Ligands

Matthew D. Wodrich, Baihua Ye, Jérôme F. Gonthier et al. · Chemistry - A European Journal · 2014 · 137 citations · Full text

Measurements as a roadblock to near-term practical quantum advantage in chemistry: Resource analysis

Jérôme F. Gonthier, Maxwell D. Radin, Corneliu Buda et al. · Physical Review Research · 2022 · 111 citations · Full text

Variational Quantum Eigensolver, Engineering, Computational Chemistry +16

π-Depletion as a criterion to predict π-stacking ability

Jérôme F. Gonthier, Stephan N. Steinmann, Albert Ruggi et al. · Chemical Communications · 2012 · 94 citations · Full text

Engineering, Molecular Biology, Statistical Analysis +17