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20212026
most citedQuantum Machine Learning for Chemistry and Physics

160 citations · 311 across the 29 of their papers we have counts for

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23 papers · 1 filter

quant-ph2026

Symmetry Constraints Regularize Neural Quantum State Learning

Turbasu Chatterjee, Manas Sajjan, Songbo Xie +4

Neural quantum states (NQS) offer highly expressive variational wavefunctions, but their optimization is frequently bottlenecked by redundant parameters and poorly conditioned land…

quant-ph2026

Ensemble Engineering to Overcome Destructive Cancellation in Quantum Measurements

Myeongsu Kim, Manas Sajjan, Sabre Kais

Quantum state preparation can shape how positive and negative contributions combine in correlation measurements, providing a route to control cancellation through ensemble engineer…

quant-ph2026

Continuous-time quantum-walk centrality for protein residue interaction networks

Shah Ishmam Mohtashim, Manas Sajjan, Sabre Kais

We present a quantum-dynamical framework for identifying structurally important residues in proteins based on continuous time quantum walks (CTQWs) on weighted residue interaction…

quant-ph2026

Quantum Machine Learning for Complex Systems

Vinit Singh, Amandeep Singh Bhatia, Mandeep Kaur Saggi +2

Quantum machine learning (QML) is rapidly transitioning from theoretical promise to practical relevance across data-intensive scientific domains. In this Review, we provide a struc…

quant-ph2025

Out-of-time-order correlators bridge classical transport and quantum dynamics

Sophia N. Fricke, Haiyan Mao, Manas Sajjan +4

The out-of-time-order correlator (OTOC) has emerged as a central tool for quantifying decoherence across wide-ranging physical platforms. Here we demonstrate its direct measurement…

quant-ph2025

Modulator-Assisted Zeno Control of Energy Transfer in Quantum Batteries

Songbo Xie, Manas Sajjan, Ashok Ajoy +1

Efficient operation of quantum batteries requires not only fast energy transfer but also the ability to halt the charging process to prevent reverse flow. Existing approaches typic…

quant-ph2025

Maximal Entropy Formalism and the Restricted Boltzmann Machine

Vinit Singh, Rishabh Gupta, Manas Sajjan +3

The connection between the Maximum Entropy (MaxEnt) formalism and Restricted Boltzmann Machines (RBMs) is natural, as both give rise to a Boltzmann-like distribution with constrain…

quant-ph2025

A deep dive into the interplay of structured quantum peaked circuits and infinite temperature correlation functions

Myeongsu Kim, Manas Sajjan, Sabre Kais

Random quantum circuits have been extensively explored for quantum supremacy demonstrations. However, verifying their output distributions remains challenging. Here, we propose the…

quant-ph2025★ 1 cited

Superdiffusion resilience in Heisenberg Chains with 2D interactions on a quantum processor

Keerthi Kumaran, Manas Sajjan, Bibek Pokharel +7

Observing superdiffusive scaling in the spin transport of the integrable 1D Heisenberg model is one of the key discoveries in non-equilibrium quantum many-body physics. Despite thi…

quant-ph2025

Strong Local Passivity in Unconventional Scenarios: A New Protocol for Amplified Quantum Energy Teleportation

Songbo Xie, Manas Sajjan, Sabre Kais

Quantum energy teleportation (QET) has been proposed to overcome the restrictions of strong local passivity (SLP) and to facilitate energy transfer in quantum systems. Traditionall…

quant-ph2024

Polynomially efficient quantum enabled variational Monte Carlo for training neural-network quantum states for physico-chemical applications

Manas Sajjan, Vinit Singh, Sabre Kais

Neural-network quantum states (NQS) offer a versatile and expressive alternative to traditional variational ansätze for simulating physical systems. Energy-based frameworks, like H…

quant-ph2024

Extracting and Storing Energy From a Quasi-Vacuum on a Quantum Computer

Songbo Xie, Manas Sajjan, Sabre Kais

We explore recent advancements in the understanding and manipulation of vacuum energy in quantum physics, with a focus on the quantum energy teleportation (QET) protocol. Tradition…

quant-ph2024★ 1 cited

Quantum Algorithms and Applications for Open Quantum Systems

Luis H. Delgado-Granados, Timothy J. Krogmeier, LeeAnn M. Sager-Smith +10

Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, inc…

quant-ph2024

Designing variational ansatz for quantum-enabled simulation of non-unitary dynamical evolution -- an excursion into Dicke supperradiance

Saurabh Shivpuje, Manas Sajjan, Yuchen Wang +2

Adaptive Variational Quantum Dynamics (AVQD) algorithms offer a promising approach to providing quantum-enabled solutions for systems treated within the purview of open quantum dyn…

quant-ph2023★ 1 cited

Møller-Plesset Perturbation Theory Calculations on Quantum Devices

Junxu Li, Xingyu Gao, Manas Sajjan +3

Accurate electronic structure calculations might be one of the most anticipated applications of quantum computing.The recent landscape of quantum simulations within the Hartree-Foc…

quant-ph2023★ 3 cited

Random Projection using Random Quantum Circuits

Keerthi Kumaran, Manas Sajjan, Sangchul Oh +1

The random sampling task performed by Google's Sycamore processor gave us a glimpse of the "Quantum Supremacy era". This has definitely shed some spotlight on the power of random q…

quant-ph2022★ 8 cited

Hamiltonian learning from time dynamics using variational algorithms

Rishabh Gupta, Raja Selvarajan, Manas Sajjan +2

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 using measur…

quant-ph2022★ 1 cited

Dimensionality reduction with variational encoders based on subsystem purification

Raja Selvarajan, Manas Sajjan, Travis S. Humble +1

Efficient methods for encoding and compression are likely to pave way towards the problem of efficient trainability on higher dimensional Hilbert spaces overcoming issues of barren…

quant-ph2022★ 42 cited

Imaginary components of out-of-time correlators and information scrambling for navigating the learning landscape of a quantum machine learning model

Manas Sajjan, Vinit Singh, Raja Selvarajan +1

We introduce and analytically illustrate that hitherto unexplored imaginary components of out-of-time correlators can provide unprecedented insight into the information scrambling…

quant-ph2022★ 15 cited

Variational Approach to Quantum State Tomography based on Maximal Entropy Formalism

Rishabh Gupta, Manas Sajjan, Raphael D. Levine +1

Quantum state tomography is an integral part of quantum computation and offers the starting point for the validation of various quantum devices. One of the central tasks in the fie…

quant-ph2021

Variational quantum circuits to prepare low energy symmetry states

Raja Selvarajan, Manas Sajjan, Sabre Kais

We explore how to build quantum circuits that compute the lowest energy state corresponding to a given Hamiltonian within a Symmetry subspace by explicitly encoding it into the cir…

quant-ph2021

Statistical correlation between quantum entanglement and spin-orbit coupling in crossed beam molecular dynamics

Junxu Li, Manas Sajjan, Sumit Suresh Kale +1

Non-classical features like interference is already being harnessed to control the output of chemical reactions. However quantum entanglement which is an equally enigmatic many-bod…

quant-ph2021★ 25 cited

Manipulating phonons of a trapped-ion system using optical tweezers

Yi Hong Teoh, Manas Sajjan, Zewen Sun +2

We propose an experimental architecture where an array of optical tweezers affords site-dependent control over the confining potential of a conventional radio-frequency ion trap. T…