14 citations · 16 across the 9 of their papers we have counts for
11 papers
Continuous Representation Theory of the Hierarchical Equations of Motion
Tianchu Li, Pranay Venkatesh, Andrés Montoya-Castillo
The numerical stability of the hierarchical equations of motion (HEOM) depends on the representation of their Liouvillian. Here, we introduce a continuous gauge freedom through a g…
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…
Nonequilibrium relaxation exponentially delays the onset of quantum diffusion
Srijan Bhattacharyya, Thomas Sayer, Andrés Montoya-Castillo
Predicting the exact many-body quantum dynamics of polarons in materials with strong carrier-phonon interactions presents a fundamental challenge, often necessitating one to adopt…
A pedagogical tour of the Fourier transform with applications to NMR and IR spectroscopy
Anthony J. Dominic, Nicholas L. Cipolla, William C. Pfalzgraff +3
The Fourier Transform (FT) is a fundamental tool that permeates modern science and technology. While chemistry undergraduates encounter the FT as early as second year, their course…
Fast, accurate, and error-resilient variational quantum noise spectroscopy
Nanako Shitara, Andrés Montoya-Castillo
Detecting and characterizing decoherence-inducing noise sources is critical for developing robust quantum technologies and deploying quantum sensors operating at molecular scales.…
Fourier Transform Noise Spectroscopy
Arian Vezvaee, Nanako Shitara, Shuo Sun +1
Spectral characterization of noise environments that lead to the decoherence of qubits is critical to developing robust quantum technologies. While dynamical decoupling offers one…