Related papers: A Generic Approach to Electronic Structure Calcula…
High-performance graphical processing units (GPU) are used for the repeated parallelised propagation of non-linear partial differential equations on large spatio-temporal grids. The main challenge results as a combination of the requirement…
The universal quantum computation is obtained when there exists asymmetric anisotropic exchange between electron spins in coupled semiconductor quantum dots. The asymmetric Heisenberg model can be transformed into the isotropic model…
We propose and analyze a setup based on (solid-state) qubits coupled to a common multi-mode transmission line, which allows for coherent spin-spin interactions over macroscopic on-chip distances, without any ground-state cooling…
Response functions are key observables for probing the structure and dynamics of many-body systems. We introduce and demonstrate a quantum-classical framework for computing response functions of general many-fermion systems that also…
Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized…
Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…
We present a simple yet general and efficient approach to representation of computational meshes. Meshes are represented as sets of mesh entities of different topological dimensions and their incidence relations. We discuss a…
We present the first open release of the DCA++ project, a high-performance research software framework to solve quantum many-body problems with cutting edge quantum cluster algorithms. DCA++ implements the dynamical cluster approximation…
It is becoming increasingly clear that, if a useful device for quantum computation will ever be built, it will be embodied by a classical computing machine with control over a truly quantum subsystem, this apparatus performing a mixture of…
This work introduces optimization strategies to continuous variable measurement based quantum computation (MBQC) at different levels. We provide a recipe for mitigating the effects of finite squeezing, which affect the production of cluster…
A scalable quantum information processing architecture based on silicon metal-oxide-semiconductor technology is presented, combining quantum hardware elements from planar and 3D silicon-on-insulator technologies. This architecture is…
Neural-network quantum states have been successfully used to study a variety of lattice and continuous-space problems. Despite a great deal of general methodological developments, representing fermionic matter is however still early…
We present strictly efficient schemes for scalable measurement-based quantum computing using continuous-variable systems: These schemes are based on suitable non-Gaussian resource states, ones that can be prepared using interactions of…
We propose a scheme for realizing the scalable quantum computation based on nonidentical quantum dots trapped in a single-mode waveguide. In this system, the quantum dots simultaneously interact with a large detuned waveguide and classical…
A generalized scheme for the construction of coherent states in the context of position-dependent effective mass systems has been presented. This formalism is based on the ladder operators and associated algebra of the system which are…
We present a method for approximating the many-body density of states of a system of quantum identical particles, with a reduction of the computational cost by a combinatorial factor compared to the full calculation. This is carried out by…
Inspired by our earlier semi-stochastic work aimed at converging high-level coupled-cluster (CC) energetics [J. E. Deustua, J. Shen, and P. Piecuch, Phys. Rev. Lett. 119, 223003 (2017); J. Chem. Phys. 154, 124103 (2021)], we propose a novel…
We present a generic C++ design to perform efficient and exact geometric computations using lazy evaluations. Exact geometric computations are critical for the robustness of geometric algorithms. Their efficiency is also critical for most…
We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians. Our method supports generic reference…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…