Quantum computing and chemistry

JD Weidman, M Sajjan, C Mikolas, ZJ Stewart… - Cell Reports Physical …, 2024 - cell.com
As the year-to-year gains in speeds of classical computers continue to taper off,
computational chemists are increasingly examining quantum computing as a possible route …

Enhanced shadow tomography of molecular excited states via the enforcement of -representability conditions by semidefinite programming

I Avdic, DA Mazziotti - Physical Review A, 2024 - APS
Excited-state properties of highly correlated systems are key to understanding
photosynthesis, luminescence, and the development of novel optical materials, but …

Hamiltonian learning from time dynamics using variational algorithms

R Gupta, R Selvarajan, M Sajjan… - The Journal of …, 2023 - ACS Publications
The Hamiltonian of a quantum system governs the dynamics of the system via the
Schrodinger equation. In this paper, the Hamiltonian is reconstructed in the Pauli basis …

Physics-Inspired Quantum Simulation of Resonating Valence Bond States─ A Prototypical Template for a Spin-Liquid Ground State

M Sajjan, R Gupta, SS Kale, V Singh… - The Journal of …, 2023 - ACS Publications
Spin liquids─ an emergent, exotic collective phase of matter─ have garnered enormous
attention in recent years. While experimentally many prospective candidates have been …

Random projection using random quantum circuits

K Kumaran, M Sajjan, S Oh, S Kais - Physical Review Research, 2024 - APS
The random sampling task performed by Google's Sycamore processor gave us a glimpse of
the “quantum supremacy era.” This has definitely shed some light on the power of random …

Fewer Measurements from Shadow Tomography with -Representability Conditions

I Avdic, DA Mazziotti - Physical Review Letters, 2024 - APS
Classical shadow tomography provides a randomized scheme for approximating the
quantum state and its properties at reduced computational cost with applications in quantum …

Time resolved quantum tomography in molecular spectroscopy by the Maximal Entropy Approach

V Makhija, R Gupta, S Neville… - The Journal of …, 2024 - ACS Publications
Attosecond science offers unprecedented precision in probing the initial moments of
chemical reactions, revealing the dynamics of molecular electrons that shape reaction …

Dimension reduction and redundancy removal through successive Schmidt decompositions

A Daskin, R Gupta, S Kais - Applied Sciences, 2023 - mdpi.com
Quantum computers are believed to have the ability to process huge data sizes, which can
be seen in machine learning applications. In these applications, the data, in general, are …

Maximum entropy methods for quantum state compatibility problems

SY Hou, Z Wu, J Zeng, N Cao, C Cao… - Advanced Quantum …, 2024 - Wiley Online Library
Inferring a quantum system from incomplete information is a common problem in many
aspects of quantum information science and applications, where the principle of maximum …

Enhanced Shadow Tomography of Molecular Excited States from Enforcing -representability Conditions by Semidefinite Programming

I Avdic, DA Mazziotti - arXiv preprint arXiv:2408.11025, 2024 - arxiv.org
Excited-state properties of highly correlated systems are key to understanding
photosynthesis, luminescence, and the development of novel optical materials, but …