14 citations · 16 across the 9 of their papers we have counts for
10 papers
Designing robust molecular spins for quantum technologies with theoretical chemistry
Timothy J. Krogmeier, Pranay Venkatesh, Mikayla Z. Fahrenbruch +3
Molecular spins represent a versatile platform for quantum information science, with the potential to offer chemically tunable, addressable qubits. However, achieving this requires…
Hidden Gauge Freedom in Complex-Pole Hierarchical Equations of Motion
Tianchu Li, Andrés Montoya-Castillo
While complex-pole hierarchical equations of motion (HEOM) have dramatically expanded the reach of numerically exact quantum dynamics simulations of open quantum systems, they suff…
Streamlining Analysis and Design of Two-Dimensional Electronic Spectroscopy using Machine Learning
Nicholas I. Hausman, Joseph Kelly, Michael S. Chen +5
Two-dimensional electronic spectroscopy (2DES) offers unique insights into the coupling between electronic and nuclear motion and dynamics, making it a key technique in diverse fie…
A Stochastic Cluster Expansion for Electronic Correlation in Large Systems
Annabelle Canestraight, Anthony J. Dominic, Andres Montoya-Castillo +2
Accurate many-body treatments of condensed-phase systems are challenging because correlated solvers such as full configuration interaction (FCI) and the density matrix renormalizat…
Coherent and Dynamic Small Polaron Delocalization in CuFeO
Jocelyn L. Mendes, Srijan Bhattacharyya, Chengye Huang +10
Small polarons remain a significant bottleneck in the realization of efficient devices using transition metal oxides. Routes to engineer small polaron coupling to electronic states…
Numerically exact quantum dynamics with tensor networks: Predicting the decoherence of interacting spin systems
Tianchu Li, Pranay Venkatesh, Nanako Shitara +1
Predicting the quantum dynamics of promising solid-state and molecular quantum technology candidates remains a formidable challenge. Yet, accessing these dynamics is key to underst…