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Many-body systems arising in condensed matter physics and quantum optics inevitably couple to the environment and need to be modelled as open quantum systems. While near-optimal algorithms have been developed for simulating many-body…
The fact that the computational cost of simulating a many-body quantum system on a computer increases with the amount of entanglement has been considered as the major bottleneck for simulating its out-of-equilibrium dynamics. Some aspects…
For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled…
We present a quantum algorithm to compute the entanglement spectrum of arbitrary quantum states. The interesting universal part of the entanglement spectrum is typically contained in the largest eigenvalues of the density matrix which can…
In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…
This is a review of recent research exploring and extending present-day quantum computing capabilities for fusion energy science applications. We begin with a brief tutorial on both ideal and open quantum dynamics, universal quantum…
We propose a variational quantum algorithm to study the real time dynamics of quantum systems as a ground-state problem. The method is based on the original proposal of Feynman and Kitaev to encode time into a register of auxiliary qubits.…
Effective Hamiltonian calculations for large quantum systems can be both analytically intractable and numerically expensive using standard techniques. In this manuscript, we present numerical techniques inspired by Nonperturbative…
Simulating the nonequilibrium dynamics of thermal states is a fundamental problem across scales from high energy to condensed matter physics. Quantum computers may provide a way to solve this problem efficiently. Preparing a thermal state…
We propose a neural-network variational quantum algorithm to simulate the time evolution of quantum many-body systems. Based on a modified restricted Boltzmann machine (RBM) wavefunction ansatz, the proposed algorithm can be efficiently…
We present a new program package for calculating one-loop Feynman integrals, based on a new method avoiding Feynman parametrization and the contraction due to Passarino and Veltman. The package is calculating one-, two- and three-point…
Complex computer codes are often too time expensive to be directly used to perform uncertainty, sensitivity, optimization and robustness analyses. A widely accepted method to circumvent this problem consists in replacing cpu-time expensive…
Spectroscopy is the most important method for probing the structure of molecules. However, predicting molecular spectra on classical computers is computationally expensive, with the most accurate methods having a cost that grows…
Tensor analysis has been a widely studied in physics applications including circuit theory and electric machines. This paper reviews some of the main features of this type of representation for unbalanced power distribution systems and…
Evaluation of a wide variety of Feynman diagrams with multi-loop integrals and physical parameters and its comparison with high energy experiments are expected to investigate new physics beyond the Standard Model. We have been developing a…
We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to…
This article is a pedagogical introduction to density-functional tight-binding (DFTB) method. We derive it from the density-functional theory, give the details behind the tight-binding formalism, and give practical recipes for…
We present a program that implements the OPP reduction method to extract the coefficients of the one-loop scalar integrals from a user defined (sub)-amplitude or Feynman Diagram, as well as the rational terms coming from the 4-dimensional…
Present quantum computers are constrained by limited qubit capacity and restricted physical connectivity, leading to challenges in large-scale quantum computations. Distributing quantum computations across a network of quantum computers is…
We introduce an algorithm to compute Hamiltonian dynamics on digital quantum computers that requires only a finite circuit depth to reach an arbitrary precision, i.e. achieves zero discretization error with finite depth. This finite number…