21 citations · 22 across the 2 of their papers we have counts for
5 papers · 1 filter
Error-Mitigation Enabled Multicomponent Quantum Simulations Beyond the Born-Oppenheimer Approximation
Delmar G. A. Cabral, Brandon Allen, Fabijan Pavošević +6
We introduce a multicomponent unitary coupled cluster framework for quantum simulations of molecular systems that incorporate both electronic and nuclear quantum effects beyond the…
A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation
Anthony M. Smaldone, Yu Shee, Gregory W. Kyro +4
The success of the self-attention mechanism in classical machine learning models has inspired the development of quantum analogs aimed at reducing computational overhead. Self-atte…
A Computational Framework for Simulations of Dissipative Non-Adiabatic Dynamics on Hybrid Oscillator-Qubit Quantum Devices
Nam P. Vu, Daniel Dong, Xiaohan Dan +3
We introduce a computational framework for simulating non-adiabatic vibronic dynamics on circuit quantum electrodynamics (cQED) platforms. Our approach leverages hybrid oscillator-…
Simulating Non-Markovian Quantum Dynamics on NISQ Computers Using the Hierarchical Equations of Motion
Xiaohan Dan, Eitan Geva, Victor S. Batista
Quantum computing offers promising new avenues for tackling the long-standing challenge of simulating the quantum dynamics of complex chemical systems, particularly open quantum sy…
Iterative Power Algorithm for Global Optimization with Quantics Tensor Trains
Micheline B. Soley, Paul Bergold, Victor S. Batista
Optimization algorithms play a central role in chemistry since optimization is the computational keystone of most molecular and electronic structure calculations. Herein, we introd…