Ashutosh Kumar
Senior Quantum Applications Scientist
Boston, Massachusetts, United States
Summary
👤
Senior🎓
Top SchoolAshutosh Kumar is a Senior Quantum Applications Scientist with 11 years of experience bridging quantum algorithm development and quantum chemistry, currently working on scalable fault-tolerant algorithms for photonic and neutral-atom quantum hardware. He combines deep theoretical expertise—from coupled-cluster and explicit-correlation methods to resource-reduction strategies for strongly correlated systems—with pragmatic software engineering, contributing substantive backend improvements to flagship open-source projects like Psi4 and Psi4NumPy. His postdoctoral work at Los Alamos and Virginia Tech produced multiple publications on excited-state modeling, response properties, and compact Hamiltonians that reduce qubit and gate costs for electronic-structure simulations. Based in Boston, he excels at translating advanced quantum-chemistry methods into deployable algorithms for emerging quantum architectures, and has a track record of enabling large-scale, accurate simulations (e.g., DLPNO-CCSD(T)-F12 implementations) on conventional hardware as well as quantum devices.
11 years of coding experience
6 years of employment as a software developer
Virginia TechIntegrated Master of Science, Industrial Chemistry, Integrated Master of Science, Industrial Chemistry at Indian Institute of Technology, Kharagpur
English, Hindi
Stackoverflow
131reputation
2kreached
2answers
3questions
Github Skills (11)
quantum-chemistry10
c-language10
computational-chemistry10
cprogramming-language10
python10
numpy10
api8
apim8
api-design8
openmp6
dylib6
Programming languages (4)
Github contributions (5)
psi4/psi4numpy
Apr 2017 - Feb 2018
Combining Psi4 and Numpy for education and development.
Role in this project:
Back-end Developer
Back-end DeveloperContributions:50 commits, 5 PRs, 38 comments in 9 months
Contributions summary:Ashutosh's commits primarily involve modifications and debugging within a spin-free Coupled Cluster (CC) implementation, specifically within the context of the Psi4 and NumPy libraries. The changes involve the construction of HBAR (similarity transformed Hamiltonian) and its related components (Hov, Hoo, etc.) along with implementations to solve lambda equations, and various response and polarizability calculations. The contributions focused on debugging calculations and the refactoring of the code to improve readability.
pythonnumpypsipsi4scipy
psi4/psi4
Dec 2016 - Jan 2018
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:Backend Developer & Computational Chemist
Backend Developer & Computational ChemistContributions:63 commits, 10 PRs, 68 comments in 1 year 1 month
Contributions summary:Ashutosh contributed to the development and refinement of the Psi4 quantum chemistry software package. Their work involved modifying documentation, adjusting test case criteria, and implementing analytic gradients for RHF-CCSD(T) calculations. The user also focused on building and optimizing components for CC2 density calculations and addressed several minor bugs related to the density, polarizability tensors, and the driver module.
physicschemistrypythonquantum-computingelectronic-structure
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