Saurabh Shivpuje
Computer Science · Purdue University West Lafayette
Publications
14
Citations
62
Est. group size
~3
Recurring co-author estimate
Active years
8
Publishing since 2019
Saurabh Shivpuje works at the intersection of quantum computing and chemistry, developing algorithms and software tools that use quantum computers to simulate molecular processes, such as chemical reactions, energy transfer, and open quantum systems (systems that exchange energy with their surroundings). Recent work also extends these quantum computing methods to problems like predicting mRNA molecule structure, applying similar optimization techniques from chemistry to biological sequences.
Publication output was sparse and irregular in the earlier part of the decade (2017-2022, mostly 0-2 per year) but has grown noticeably in recent years, with a sharp increase in 2026 output shown in preprint/toolkit series.
Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026
- Sample-Based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds
Journal of Chemical Theory and Computation · 2026
- QFlux: An Open-Source Toolkit for Quantum Dynamics Simulations on Quantum Computers. Part V - Adaptive Variational Quantum Algorithms for Open Quantum Systems
ChemRxiv · 2026
- QFlux: An Open-Source Toolkit for Quantum Dynamics Simulations on Quantum Computers. Part VI - The Generalized Quantum Master Equation
ChemRxiv · 2026
- QFlux: An Open-Source Toolkit for Quantum Dynamics Simulations on Quantum Computers. Part IV - Dilation Method for Open Quantum Systems
ChemRxiv · 2026
- QFlux: An Open-Source Toolkit for Quantum Dynamics Simulations on Quantum Computers. Part V - Adaptive Variational Quantum Algorithms for Open Quantum Systems
ChemRxiv · 2026
- Towards Secondary Structure Prediction of Longer Mrna Sequences Using a Quantum-Centric Optimization Scheme
2025
- Towards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme
arXiv (Cornell University) · 2025
- Designing Variational Ansatz for Quantum‐Enabled Simulation of Non‐Unitary Dynamical Evolution ‐ An Excursion into Dicke Supperradiance
Advanced Quantum Technologies · 2024
- Designing variational ansatz for quantum-enabled simulation of non-unitary dynamical evolution -- an excursion into Dicke supperradiance
arXiv (Cornell University) · 2024
- Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations
Journal of Chemical Theory and Computation · 2023
- Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations
arXiv (Cornell University) · 2022
- An algorithm for estimating kinetic parameters of atomistic rare events using finite-time temperature programmed molecular dynamics trajectories
Computer Physics Communications · 2021
- TPMD toolkit: A toolkit for studying rate processes using molecular dynamics trajectories and performing temperature programmed molecular dynamics calculations
Computer Physics Communications · 2021
- Accelerating rare events using temperature programmed molecular dynamics: a review
Molecular Simulation · 2019
- ChemRxiv×4
- arXiv (Cornell University)×3
- Journal of Chemical Theory and Computation×2
- Computer Physics Communications×2
- Advanced Quantum Technologies×1
- Jie Liu
Computer Science · The Ohio State University
- Sabre Kais
Computer Science · Purdue University West Lafayette
- Anurag Dwivedi
Computer Science · Indiana University
- Manas Sajjan
Computer Science · Purdue University West Lafayette
- Yuchen Wang
Computer Science · Purdue University West Lafayette
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 20, 2026.
Claim or correct this profile