Sabre Kais

Defect-induced localization of information scrambling in 1D Kitaev model

PHYSICA SCRIPTA, 99(10).

Designing Variational Ansatz for Quantum‐Enabled Simulation of Non‐Unitary Dynamical Evolution ‐ An Excursion into Dicke Supperradiance

Advanced Quantum Technologies.

Entropy corrected geometric Brownian motion

SCIENTIFIC REPORTS, 14(1).

Random projection using random quantum circuits

Physical Review Research.

Simulation of Chemical Reactions on a Quantum Computer

The Journal of Physical Chemistry Letters.

Time Resolved Quantum Tomography in Molecular Spectroscopy by the Maximal Entropy Approach

Makhija, V., Gupta, R., Neville, S., Schuurman, M., Francisco, J., & Kais, S. (2024, September 12). JOURNAL OF PHYSICAL CHEMISTRY LETTERS, Vol. 9.

Walking with the Atoms in a Chemical Bond: A Perspective Using Quantum Phase Transition

Entropy.

Analogy between Boltzmann Machines and Feynman Path Integrals

Journal of Chemical Theory and Computation.

Comparison of quantum advantage experiments using random circuit sampling

Physical Review A.

Cutoff phenomenon and entropic uncertainty for random quantum circuits

Electronic Structure.

Dimension Reduction and Redundancy Removal through Successive Schmidt Decompositions

Applied Sciences.

Dimensionality Reduction with Variational Encoders Based on Subsystem Purification

Mathematics.

Federated quanvolutional neural network: a new paradigm for collaborative quantum learning

Quantum Science and Technology.

Foray into the topology of poly-bi-[8]-annulenylene

Muruganandam, V., Sajjan, M., & Kais, S. (2023, June 9).

Foray into the topology of poly‐bi‐[8]‐annulenylene

Natural Sciences.

Hamiltonian Learning from Time Dynamics Using Variational Algorithms

The Journal of Physical Chemistry A.

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

Physical Review Research.

Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors

Journal of Chemical Theory and Computation.

Measurement-Induced Nonlocality for Observers Near a Black Hole

Universe.

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

The Journal of Physical Chemistry A.

Quantum Machine Learning Predicting ADME-Tox Properties in Drug Discovery

Journal of Chemical Information and Modeling.

Quantum Simulation of the Radical Pair Dynamics of the Avian Compass

The Journal of Physical Chemistry Letters.

Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations

Journal of Chemical Theory and Computation.

The unitary dependence theory for characterizing quantum circuits and states

Communications Physics.

Toward perturbation theory methods on a quantum computer

Science Advances.

A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex

Quantum.

Geometrical picture of the electron–electron correlation at the large-D limit

Physical Chemistry Chemical Physics, 24(16), 9298–9307.

Magnetic phases of spatially modulated spin-1 chains in Rydberg excitons: Classical and quantum simulations

The Journal of Chemical Physics.

Quantum machine learning for chemistry and physics

Chemical Society Reviews.

Realization of Heisenberg models of spin systems with polar molecules in pendular states

Physical Chemistry Chemical Physics.

Statistical Properties of Bit Strings Sampled from Sycamore Random Quantum Circuits

The Journal of Physical Chemistry Letters.

Statistical analysis on random quantum circuit sampling by Sycamore and Zuchongzhi quantum processors

Physical Review A.

Tribute to Dor Ben-Amotz

The Journal of Physical Chemistry B, 126(16), 2943–2945.

Variational Quantum Circuits to Prepare Low Energy Symmetry States

Symmetry.

Variational approach to quantum state tomography based on maximal entropy formalism

Physical Chemistry Chemical Physics.

A universal quantum circuit design for periodical functions

New Journal of Physics, 10.

Constructive Quantum Interference in Photochemical Reactions

Journal of Chemical Theory and Computation, 11.

Convergence of a Reconstructed Density Matrix to a Pure State Using the Maximal Entropy Approach

The Journal of Physical Chemistry A, 8.

Dimensional Interpolation for Random Walk

The Journal of Physical Chemistry A, 8.

Implementation of Quantum Machine Learning for Electronic Structure Calculations of Periodic Systems on Quantum Computing Devices

Journal of Chemical Information and Modeling, 61(6), 2667–2674.

Machine learning framework for quantum sampling of highly constrained, continuous optimization problems

Applied Physics Reviews.

Maximal Entropy Approach for Quantum State Tomography

PRX Quantum.

Practical quantum encryption protocol with varying encryption configurations

Physical Review Research.

Quantum Machine-Learning for Eigenstate Filtration in Two-Dimensional Materials

Journal of the American Chemical Society, 10.

Quantum cluster algorithm for data classification

Materials Theory.

Quantum computing for atomic and molecular resonances

The Journal of Chemical Physics.

Statistical Correlation Between Quantum Entanglement and Spin–Orbit Coupling in Crossed Beam Molecular Dynamics

Advanced Quantum Technologies.

Statistical approach to quantum phase estimation

New Journal of Physics, 10.

Training a Quantum Annealing Based Restricted Boltzmann Machine on Cybersecurity Data

IEEE Transactions on Emerging Topics in Computational Intelligence, 6(3), 417–428.

Dimensional interpolation for metallic hydrogen

Physical Chemistry Chemical Physics.

Gap states and valley-spin filtering in transition metal dichalcogenide monolayers

Physical Review B.

Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules

Entropy, 22(8), 828.

Introducing Open Boundary Conditions in Modeling Nonperiodic Materials and Interfaces: The Impact of the Periodicity Assumption

ACS Materials Letters, 2(3), 247–253.

Qubit coupled cluster singles and doubles variational quantum eigensolver ansatz for electronic structure calculations

Quantum Science and Technology, 6(1), 015001.

Enhancing the electronic dimensionality of hybrid organic–inorganic frameworks by hydrogen bonded molecular cations

Materials Horizons.

Entanglement classifier in chemical reactions

Science Advances, 5(8).

Orientational Dynamics of Transition Dipoles and Exciton Relaxation in LH2 from Ultrafast Two-Dimensional Anisotropy

The Journal of Physical Chemistry Letters, 10(2), 270–277.

Quantum Phase Estimation with Time‐Frequency Qudits in a Single Photon

Advanced Quantum Technologies.

Tuning the Stereoselectivity and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: Isomerization of Glyoxal in Different Solvent Environments

Journal of the American Chemical Society, 140(16), 5535–5543.

Electronic Structure Calculations and the Ising Hamiltonian

The Journal of Physical Chemistry B, 122(13), 3384–3395.

Hydrogen Bonding and Stability of Hybrid Organic–Inorganic Perovskites

ChemSusChem.

Quantum Computation using Arrays of N Polar Molecules in Pendular States

ChemPhysChem, 17(22), 3714–3722.

Generalized Remote Preparation of Arbitrary m-qubit Entangled States via Genuine Entanglements

Entropy.

Dynamics of entanglement in one- and two-dimensional spin systems

In Advances in Chemical Physics (Vol. 154, pp. 449–507). http://www.scopus.com/inward/record.url?eid=2-s2.0-84897545575&partnerID=MN8TOARS

Experimental realization of quantum algorithm for solving linear systems of equations

Physical Review A - Atomic, Molecular, and Optical Physics, 89(2).

Influence of the intensity gradient upon HHG from free electrons scattered by an intense laser beam

Applied Physics B.

Introduction to quantum information and computation for chemistry

In Advances in Chemical Physics (Vol. 154, pp. 1–38). http://www.scopus.com/inward/record.url?eid=2-s2.0-84897556532&partnerID=MN8TOARS

Spectral Method for Solving the Nonlinear Thomas-Fermi Equation Based on Exponential Functions

Journal of Applied Mathematics, 2014, 1–8.

Using quantum games to teach quantum mechanics, part 1

Journal of Chemical Education, 91(3), 417–422.

Using quantum games to teach quantum mechanics, part 2

Journal of Chemical Education, 91(3), 423–427.

A universal quantum circuit scheme for finding complex eigenvalues

Quantum Information Processing, 1–21.

Avalanches in the raise and peel model in the presence of a wall

Journal of Physics A: Mathematical and Theoretical, 46(26).

Degree distribution in quantum walks on complex networks

Physical Review X, 3(4).

Implementation of quantum logic gates using polar molecules in pendular states

Journal of Chemical Physics, 138(2).

Manipulation of molecules with electromagnetic fields

Molecular Physics, 111(12-13), 1648–1682.

Persistence of entanglement in thermal states of spin systems

Journal of Physics B: Atomic, Molecular and Optical Physics, 46(24).

Quantum algorithm and circuit design solving the Poisson equation

New Journal of Physics, 15.

Quantum coherence and entanglement in the avian compass

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 87(6).

Quantum confinement and negative heat capacity

EPL, 104(1).

Quantum criticality analysis by finite-size scaling and exponential basis sets

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 87(4).

The interference effect of laser-assisted bremsstrahlung emission in Coulomb fields of two nuclei

Journal of Applied Physics, 114(12).

Dimensional scaling treatment with relativistic corrections for stable multiply charged atomic ions in high-frequency super-intense laser fields

Journal of Chemical Physics, 136(3).

Finite-size scaling for quantum criticality using the finite-element method

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 85(3).

Ground-state stability and criticality of two-electron atoms with screened Coulomb potentials using the B-splines basis set

Journal of Physics B: Atomic, Molecular and Optical Physics, 45(23).

Multipartite quantum entanglement evolution in photosynthetic complexes

Journal of Chemical Physics, 137(7).

Population and coherence dynamics in light harvesting complex II (LH2)

Journal of Chemical Physics, 137(8).

Quantum circuit design for solving linear systems of equations

Molecular Physics, 110(15-16), 1675–1680.

Scaling mount impossible: A festschrift for Dudley Herschbach

Molecular Physics, 110(15-16).

Tuning entanglement and ergodicity in two-dimensional spin systems using impurities and anisotropy

Physical Review A - Atomic, Molecular, and Optical Physics, 85(4).

Universal programmable quantum circuit schemes to emulate an operator

Journal of Chemical Physics, 137(23).

Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians

Journal of Chemical Physics, 134(14).

Dynamics of entanglement in a two-dimensional spin system

Physical Review A - Atomic, Molecular, and Optical Physics, 83(6).

Entanglement dynamics of one-dimensional driven spin systems in time-varying magnetic fields

Physical Review A - Atomic, Molecular, and Optical Physics, 84(2).

Entanglement of polar molecules in pendular states

Journal of Chemical Physics, 134(12).

Entanglement of polar symmetric top molecules as candidate qubits

Journal of Chemical Physics, 135(15).

Group leaders optimization algorithm

Molecular Physics, 109(5), 761–772.

Modified scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes

Journal of Physical Chemistry B, 115(6), 1531–1537.

Supersymmetric factorization yields exact solutions to the molecular Stark-effect problem for stretched states

Physical Review A - Atomic, Molecular, and Optical Physics, 83(4).

Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically

New Journal of Physics, 13.

Communications: Entanglement switch for dipole arrays

Journal of Chemical Physics, 132(12).

Exact calculation of entanglement in a 19-site two-dimensional spin system

Physical Review A - Atomic, Molecular, and Optical Physics, 81(2).

Comparison study of finite element and basis set methods for finite size scaling

Journal of Chemical Physics, 131(10).

Simulated quantum computation of global minima

Molecular Physics, 107(19), 2015–2023.

Study of electronic structure and dynamics of interacting free radicals influenced by water

Journal of Chemical Physics, 130(12).

Temperature dependent electron binding in (H2O)8

Journal of Physical Chemistry A, 113(41), 10886–10890.

Critical conditions for stable dipole-bound dianions

Journal of Chemical Physics, 128(4).

Dimensional scaling for stability of two particles in a dipole field

Chemical Physics Letters, 461(1-3), 127–130.

Dimensional scaling treatment of stability of simple diatomic molecules induced by superintense, high-frequency laser fields

Journal of Chemical Physics, 129(21).