Related papers: A Generic Approach to Electronic Structure Calcula…

In many situations, one can approximate the behavior of a quantum system, i.e. a wave function subject to a partial differential equation, by effective classical equations which are ordinary differential equations. A general method and…

We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain…

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the…

The semiconductor and IC industry is facing the issue of high energy consumption. In modern days computers and processing systems are designed based on the Turing machine and Von Neumann's architecture. This architecture mainly focused on…

We propose a modular quantum computation architecture based on utilizing multipartite entanglement. Each module consists of a small-scale quantum computer comprising data, memory and entangling qubits. Entangling qubits are used to…

Neural quantum states (NQS) provide a flexible and highly expressive parameterization of wave functions for strongly correlated problems in quantum chemistry. Despite rapid advances in network architectures, the evaluation of electronic…

We present a method to calculate many-body states of interacting carriers in million atom quantum nanostructures based on atomistic tight-binding calculations and a combination of iterative selection of configurations and perturbation…

In a large-scale quantum computer, the cost of communications will dominate the performance and resource requirements, place many severe demands on the technology, and constrain the architecture. Unfortunately, fault-tolerant computers…

A geometrical approach to quantum computation is presented, where a non-abelian connection is introduced in order to rewrite the evolution operator of an energy degenerate system as a holonomic unitary. For a simple geometrical model we…

Quantum state preparation is a fundamental primitive in quantum algorithms for encoding classical data into quantum amplitudes. We compare the cost of preparing general $n$-qubit states with real amplitudes using two common paradigms:…

We propose a method for efficiently coupling the finite element method with atomistic simulations, while using molecular dynamics or kinetic Monte Carlo techniques. Our method can dynamically build an optimized unstructured mesh that…

We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…

Collective light-matter interactions have been used to control chemistry and energy transfer, yet accessible approaches that combine ab initio methodology with large many-body quantum optical systems are missing due to the fast increase in…

We derive simple expressions that relate the noise and correlation properties of a general time-dependent quantum conductor to the wave functions of the system. The formalism provides a practical route for numerical calculations of quantum…

We describe OpenFCI, an open source implementation of the full configuration-interaction method (FCI) for two-dimensional quantum dots with optional use of effective renormalized interactions. The code is written in C++ and is available…

We present a general framework for the efficient simulation of realistic fermionic systems with modern machine learning inspired representations of quantum many-body states, towards a universal tool for ab initio electronic structure. These…

We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is…

Neutron matter, through its connection to neutron stars as well as systems like cold atom gases, is one of the most interesting yet computationally accessible systems in nuclear physics. The Configuration-Interaction Monte Carlo (CIMC)…

Quantum-selected configuration interaction (QSCI) utilizes an input quantum state on a quantum device to select important bases (electron configurations in quantum chemistry) that define a subspace in which to diagonalize a target…

The experimental realisation of large scale many-body systems has seen immense progress in recent years, rendering full tomography tools for state identification inefficient, especially for continuous systems. In order to work with these…