Jérôme Gonthier
Senior Quantum Research Scientist at NVIDIA
Cambridge, Massachusetts, United States
Summary
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Rockstar🎓
Top SchoolJérôme Gonthier is a Senior Quantum Research Scientist with over a decade of experience building and optimizing quantum chemistry algorithms, now applying that expertise at NVIDIA. His background spans deep academic work (PhD in theoretical chemistry, postdocs at UC Berkeley and Georgia Tech) and industry leadership roles, including VP of Quantum Services and technical management at QC Ware and Zapata. Jérôme has a proven track record of turning advanced theory into performant code—contributing significant features and performance improvements to the widely used open-source Psi4 electronic-structure package, including FISAPT and UHF stability tools. He specializes in compressing and analyzing large many-body tensors and implementing disk- and memory-efficient solvers, bringing both numerical rigor and practical software engineering to quantum computing applications for chemistry. Based in Cambridge, MA, he combines hands-on C++/Python implementation skills with strategic product-focused research, often supervising and mentoring collaborative projects across academia and industry.
11 years of coding experience
11 years of employment as a software developer
Doctor of Philosophy (Ph.D.), Theoretical Chemistry, Doctor of Philosophy (Ph.D.), Theoretical Chemistry at Ecole polytechnique fédérale de Lausanne
Github Skills (7)
quantum-chemistry10
c-language10
computational-chemistry10
cprogramming-language10
hdf9
cmake8
openmp5
Programming languages (7)
Github contributions (5)
psi4/psi4
May 2015 - Feb 2017
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:
Back-end Developer
Back-end DeveloperContributions:104 commits, 15 PRs, 31 pushes in 1 year 9 months
Contributions summary:Jérôme primarily contributed to the development of the FISAPT module within the psi4/psi4 repository, which is an open-source quantum chemistry package. The commits involved the addition and modification of code related to the computation of monomer energies, fixing bugs in CIS symmetry, and improving the HDF5 detection process. The user also introduced new classes like UStabHamiltonian, DLUSolver, and UStab for UHF stability analysis, including code for orbital rotation and analysis, and also performed code cleanup and refactoring.
cpppythonquantum-chemistryc-plus-pluscomputational-chemistry
jgonthier/psi4
Feb 2017 - Jan 2019
Contributions:34 pushes, 6 branches in 1 year 11 months
chemistrypythonquantum-computingelectronic-structureelectronic
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