Related papers: Designing quantum chemistry algorithms with just-i…
We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from…
Dr$.$Jit is a new just-in-time compiler for physically based rendering and its derivative. Dr$.$Jit expedites research on these topics in two ways: first, it traces high-level simulation code (e.g., written in Python) and aggressively…
Simulating quantum imaginary-time evolution (QITE) is a major promise of quantum computation. However, the known algorithms are either probabilistic (repeat until success) with impractically small success probabilities or coherent (quantum…
We introduce a new jet-finding algorithm for a hadron collider based on maximizing a J_{E_T} function for all possible combinations of particles in an event. This function prefers a larger value of the jet transverse energy and a smaller…
We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of…
Large language models (LLMs) have been widely applied but face challenges in efficient inference. While quantization methods reduce computational demands, ultra-low bit quantization with arbitrary precision is hindered by limited GPU Tensor…
The co-design of neural network architectures, quantization precisions, and hardware accelerators offers a promising approach to achieving an optimal balance between performance and efficiency, particularly for model deployment on…
We present an open-source CUDA-based package that consists of a compilation of exponential integrators where the action of the matrix exponential or the $\varphi_l$ functions on a vector is approximated using the method of polynomial…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…
Quantum algorithms are known for providing more efficient solutions to certain computational tasks than any corresponding classical algorithm. Here we show that a single qudit is sufficient to implement an oracle based quantum algorithm,…
Just-in-time arrival in the maritime industry is a key concept for the reduction of Greenhouse gas emissions and cost-cutting, with the aim to reach the industrywide overall climate goals set by the International Maritime Organization (IMO)…
Quantum circuit simulation is important in the evolution of quantum software and hardware. Novel algorithms can be developed and evaluated by performing quantum circuit simulations on classical computers before physical quantum computers…
General purpose CPUs used in high performance computing (HPC) support a vector instruction set and an out-of-order engine dedicated to increase the instruction level parallelism. Hence, related optimizations are currently critical to…
We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…
We generalize the Approximate Quantum Compiling algorithm into a new method for CNOT-depth reduction, which is apt to process wide target quantum circuits. Combining this method with state-of-the-art techniques for error mitigation and…
We have developed methods for performing qudit quantum computation in the Jaynes-Cummings model with the qudits residing in a finite subspace of individual harmonic oscillator modes, resonantly coupled to a spin-1/2 system. The first method…
Geometric phase is a promising element to induce high-fidelity and robust quantum operations due to its built-in noise-resilience feature. Unfortunately, its practical applications are usually circumscribed by requiring complex interactions…
The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kernels for high angular momentum basis functions however often…
In this article, we present TornadoQSim, an open-source quantum circuit simulation framework implemented in Java. The proposed framework has been designed to be modular and easily expandable for accommodating different user-defined…