相关论文: Automatic code generation enables nuclear gradient…

Motivated by construction of isospin generators in particle physics (built form the SU(2) algebra), we find an equivalence between the algebra of these generators and those of the Virasoro algebra. The form of the starting generators is…

Optimization of beamlines and lattices is a common problem in accelerator physics, which is usually solved with semi-analytical methods and numerical optimization routines. However, these are usually of the gradient-free or…

A new class of error-correcting quantum codes is introduced capable of stabilizing qubits against spontaneous decay arising from couplings to statistically independent reservoirs. These quantum codes are based on the idea of using an…

Code completion has become an essential component of integrated development environments. Contemporary code completion methods rely on the abstract syntax tree (AST) to generate syntactically correct code. However, they cannot fully capture…

We discuss recent \emph{ab initio} calculations based on self-consistent Green's function theory. It is found that a simple extension of the formalism to account for two-nucleon scattering outside the model space allows to calculate…

Numerical methods have become a powerful tool for research in astrophysics, but their utility depends critically on the availability of suitable simulation codes. This calls for continuous efforts in code development, which is necessitated…

Physics informed neural networks (PINNs) represent a very popular class of neural solvers for partial differential equations. In practice, one often employs stochastic gradient descent type algorithms to train the neural network. Therefore,…

The design of molecules and materials with tailored properties is challenging, as candidate molecules must satisfy multiple competing requirements that are often difficult to measure or compute. While molecular structures, produced through…

A molecule's geometry, also known as conformation, is one of a molecule's most important properties, determining the reactions it participates in, the bonds it forms, and the interactions it has with other molecules. Conventional…

We present an equation generator algorithm that utilizes second-quantized operators in normal order with respect to a correlated or non-correlated reference and the corresponding Wick theorem. The algorithm proposed here, written with…

We report a method to convert discrete representations of molecules to and from a multidimensional continuous representation. This model allows us to generate new molecules for efficient exploration and optimization through open-ended…

Analytical gradients of the total energy are provided for local density and generalized-gradient hybrid approximations to generalized Kohn-Sham spin-current density functional theory (SCDFT). It is shown that gradients may be determined…

Operator algebra of (not necessarily free) higher-spin conformal conserved currents in generalized matrix spaces, that include 3d Minkowski space-time as a particular case, is shown to be determined by an associative algebra $M$ of…

A rigorous generation of spin-adapted (spin-free) substitution operators for high spin ($S=S_z$) references of arbitrary substitution order and spin quantum number $S$ is presented. The generated operators lead to linearly independent but…

We report on the implementation of arbitrary circuits on a universal two-qubit register that can act as the computational module in a trapped-ion quantum computer based on the quantum charge-coupled device architecture. A universal set of…

The size and complexity of software applications is increasing at an accelerating pace. Source code repositories (along with their dependencies) require vast amounts of labor to keep them tested, maintained, and up to date. As the…

Classes of self-dual codes and dual-containing codes are constructed. The codes are obtained within group rings and, using an isomorphism between group rings and matrices, equivalent codes are obtained in matrix form. Distances and other…

We experimentally demonstrate how coherent population trapping (CPT) for donor-bound electron spins in GaAs results in autonomous feedback that prepares stabilized states for the spin polarization of nuclei around the electrons. CPT was…

Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and…

We introduce an architecture for variational quantum algorithms that can be efficiently trained via parameter updates along exact geodesics on the Riemannian state manifold. This features a parameter-optimal circuit ansatz which supersedes…