3 papers
physics.chem-ph2026
Computing Reaction and Activation Energies of Pericyclic Reactions using a Symmetry-Adapted VQE Algorithm
Maitreyee Sarkar, Manikandan Paranjothy, Atul Kumar
Pericyclic reactions provide stringent tests for quantum simulations because their mechanisms are governed by orbital symmetry and involve correlated transition states. In this wor…
physics.chem-ph2026
Reaction-Level Consistency within the Variational Quantum Eigensolver: Homodesmotic Ring Strain Energies of Cyclic Hydrocarbons
L. Roy, M. Sarkar, M. Tewari +2
Simulation of chemical reactions on quantum computing platforms using quantum classical hybrid algorithms such as the Variational Quantum Eigensolver (VQE) is challenged by the nee…
physics.chem-ph2026
Quantum Simulations of Chemical Reactions: Achieving Accuracy with NISQ Devices
Maitreyee Sarkar, Lisa Roy, Akash Gutal +2
Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical…