Author

Luke Bertels

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Preprint Oct 2026

Resolving molecular biexcited states using classical leading-order triples corrections to quantum equation-of-motion UCCSD

Excited electronic states are difficult to accurately and tractably model, particularly those exhibiting multiexcitonic character. Scalable single-reference excited state methods typically fail to describe such states as they suffer from the defects of the mean-field approximation and/or neglect higher-rank excitation...

Z. W. Windom, P. F. Kwao, Luke W. Bertels et al. · 0 citations

Preprint Jul 2026

Exploring the use of quantum computing for facilitating spatially and temporally resolved models of a biological cell

Whole-cell simulation, modeling all of a cell's functional systems over its life cycle, is an outstanding challenge in computational biology. Even the simplest living cell contains thousands of interacting proteins and metabolites (on the order of trillions of atoms) whose full functional dynamics spans roughly five or...

M. G. Meena, D. Kishore, J. Parks et al. · 0 citations