Related papers: Designing quantum chemistry algorithms with just-i…
Designing multi-qubit quantum logic gates with experimental constraints is an important problem in quantum computing. Here, we develop a new quantum optimal control algorithm for finding unitary transformations with constraints on the…
Accurate molecular geometries are a prerequisite for reliable quantum-chemical predictions, yet density functional theory (DFT) optimization remains a major bottleneck for high-throughput molecular screening. Here we present GeoOpt-Net, a…
In parallel simulation, convergence and parallelism are often seen as inherently conflicting objectives. Improved parallelism typically entails lighter local computation and weaker coupling, which unavoidably slow the global convergence.…
Geometric quantum computation offers a practical strategy toward robust quantum computation due to its inherently error tolerance. However, the rigorous geometric conditions lead to complex and/or error-disturbed quantum controls,…
We present a quantum algorithm for solving the finite-horizon discrete-time Linear Quadratic Gaussian (LQG) control problem, which integrates optimal control and state estimation in the presence of stochastic disturbances and noise.…
Quantum computers are becoming practical for computing numerous applications. However, simulating quantum computing on classical computers is still demanding yet useful because current quantum computers are limited because of computer…
Quantum computing based on Neutral Atoms (NAs) provides a wide range of computational capabilities, encompassing high-fidelity long-range interactions with native multi-qubit gates, and the ability to shuttle arrays of qubits. While…
Due to the wide range of technical applications of actinide elements, a thorough understanding of their electronic structure could complement technological improvements in many different areas. Quantum computing could greatly aid in this…
We study parallel particle-in-cell (PIC) methods for low-temperature plasmas (LTPs), which discretize kinetic formulations that capture the time evolution of the probability density function of particles as a function of position and…
Quantum simulation, fundamental in quantum algorithm design, extends far beyond its foundational roots, powering diverse quantum computing applications. However, optimizing the compilation of quantum Hamiltonian simulation poses significant…
Qudit is a multi-level computational unit alternative to the conventional 2-level qubit. Compared to qubit, qudit provides a larger state space to store and process information, and thus can provide reduction of the circuit complexity,…
Qudit-based quantum computation offers unique advantages over qubit-based systems in terms of noise mitigation capabilities as well as algorithmic complexity improvements. However, the software ecosystem for multi-state quantum systems is…
We present the first high performance compiler for very large scale quantum error correction: it translates an arbitrary quantum circuit to surface code operations based on lattice surgery. Our compiler offers an end to end error correction…
We present RUBIX, a fully tested, well-documented, and modular Open Source tool developed in JAX, designed to forward model IFU cubes of galaxies from cosmological hydrodynamical simulations. The code automatically parallelizes computations…
Quantum computing has the potential to significantly speed up complex computational tasks, and arguably the most promising application area for near-term quantum computers is the simulation of quantum mechanics. To make the most of our…
We propose a novel physical realization of a quantum computer. The qubits are electric dipole moments of ultracold diatomic molecules, oriented along or against an external electric field. Individual molecules are held in a 1-D trap array,…
Deformable transformers deliver state-of-the-art detection but map poorly to hardware due to irregular memory access and low arithmetic intensity. We introduce QUILL, a schedule-aware accelerator that turns deformable attention into…
This paper introduces JAX-FEM, an open-source differentiable finite element method (FEM) library. Constructed on top of Google JAX, a rising machine learning library focusing on high-performance numerical computing, JAX-FEM is implemented…
We present a fast algorithm to calculate Coulomb/exchange integrals of prolate spheroidal electronic orbitals, which are the exact solutions of the single-electron, two-center Schr\"odinger equation for diatomic molecules. Our approach…
Applying quantum chemistry algorithms to large-scale systems requires substantial computational resources scaled with the system size and the desired accuracy. To address this, ByteQC, a fully-functional and efficient package for…