Tutorials
Pauli Matrix Decomposition
This video tutorial explains how to express a matrix as a weighted sum of tensor products of Pauli matrices in preparation for Hamiltonian simulations.
Simulation of the Heisenberg Model Dynamics Tutorial
This video tutorial walks through an implementation for simulating the dynamics of the Heisenberg model on a qubit-based quantum computer, accompanied by a Jupyter notebook.
Implementing Hamiltonian Simulation and Variational Quantum Eigensolver (VQE) on Bosonic Devices
This video tutorial walks through the process of simulating Hamiltonian dynamics and the Variational Quantum Eigensolver (VQE) on Bosonic quantum devices, accompanied by a Jupyter notebook.
Dilation Tutorial
This video tutorial introduces the dilation method for implementing non-unitary operations on qubit-based quantum computers.
Generalized Quantum Master Equation (GQME) Tutorial
This video tutorial explains the Generalized Quantum Master Equation for simulating open quantum systems on qubit-based quantum computers, accompanied by a Jupyter notebook.
Quantum Circuit Generation with GLOA Tutorial
This video tutorial walks through the Group Leader Optimization Algorithm for generation of Quantum Circuits, accompanied by a Jupyter notebook.
Tensor-Train Thermo-Field Memory Kernels for Generalized Quantum Master Equations
The tutorial focuses on benchmark quantum simulations of electronic dynamics in a spin-boson model system described by various types of GQMEs. Exact memory kernels and inhomogeneous terms are obtained from short-time quantum-mechanically exact TT-TFD simulations and are compared with those obtained from an approximate linearized semiclassical method, allowing for assessment of the accuracy of these approximate memory kernels and inhomogeneous terms, accompanied by Jupyter notebooks.
Tensor Train Tutorial
The goal of this tutorial is to get a quick start on the TT Toolbox for fast multilinear algebra computations. Here, we introduce the basic routines for multidimensional array operations in TT-format with examples, including a presentation based on the quick start document developed by Ivan Oseledets, Sergey Dolgov, Vladimir Kazeev, Olga Lebedeva, Thomas Mach, and developments at Yale by the Batista group.
Electronic Structure on Quantum Computer with VQE, ADAPT-VQE and Application to Custom Hamiltonian Tutorial
A quantum computer can encode information in terms of | 0 ⟩ and | 1 ⟩ states, but also allows entanglement between each of the states. This entanglement is beneficial to chemistry problems as electrons interact with other electrons and these interactions are often correlated and an important factor in molecular properties. Thus, using a quantum computer framework to solve chemical problems may allow more efficient calculations for properties of chemical interest and higher accuracy.
Spectral Kissing and Excited State Quantum Phase Transitions
Transmon qubits, central to quantum computing, also serve as versatile nonlinear oscillators for exploring physics. They simulate excited state quantum phase transitions (ESQPTs), observed through spectral kissing in driven SNAIL-transmons. ESQPT dynamics involve exponential growth of correlators, periodic revivals, and slow survival probability evolution. These findings are accessible in current superconducting circuits, relevant for cold atom and ion trap experiments.
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction
Gregory Kyro (Batista Group)
Drug Toxicity Prediction with Quantum Machine Learning
Anthony Smaldone (Batista Lab)
Presentations
Equilibration time in many-body quantum systems
Presentation at Frontiers of Quantum and Mesoscopic Thermodynamics 2022 (Prague, Czech Republic, Aug 01-06)
Detection of excited state quantum phase transition in squeezed Kerr-nonlinear resonators
Presentation at the 10th International Workshop on Quantum Phase Transitions in Nuclei and Many-Body Systems: QPTn-10 (Dubrovnik, Croatia, July 11-15, 2022).
Indicators of many-body quantum chaos and time scales for equilibration (Dynamics)
Presentation at the 2nd International Summer School on Advanced Quantum Mechanics, Institute of Plasma Physics, Academy of Sciences of the Czech Republic (Prague, September 2021),
Indicators of many-body quantum chaos and time scales for equilibration (Static)
Presentation at the 2nd International Summer School on Advanced Quantum Mechanics, Institute of Plasma Physics, Academy of Sciences of the Czech Republic (Prague, September 2021).
Simulations of Open Quantum System Dynamics with Generalized Quantum Master Equations on Classical and Quantum Computers
Presentation at Flatiron Institute (New York), 2023.
Using Boson Sampling for Efficient Simulation of Molecular Spectra on a Small Quantum Processor
Colloquium at Centre for Quantum Technologies Talks Series (Online), 2021
