相关论文: ARC 3.0: An expanded Python toolbox for atomic phy…
Wavelets and Multiwavelets have lately been adopted in Quantum Chemistry to overcome challenges presented by the two main families of basis sets: Gaussian atomic orbitals and plane waves. In addition to their numerical advantages (high…
In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called recursively embedded atom neural network model takes both…
The ALICE experiment at CERN LHC is specifically designed for investigating heavy ion collisions. The upgraded ALICE accommodates a tenfold increase in PbPb luminosity and a two-order of magnitude surge in minimum bias events. To address…
We present the theory and implementation of a highly efficient relativistic third-order algebraic diagrammatic construction [ADC(3)] method based on a four-component (4c) Dirac-Coulomb (DC) Hamiltonian for the calculation of ionization…
This paper proposes a new way to quantize classical mechanical systems. Here we use ALAG - programme to construct moduli space of half weighted Bohr - Sommerfeld lagrangian cycles of fixed volume which is our quantum phase space. "Dynamical…
For half a century, artificial intelligence research has attempted to reproduce the human qualities of abstraction and reasoning - creating computer systems that can learn new concepts from a minimal set of examples, in settings where…
This paper introduces and studies a new model of computation called an Alternating Automatic Register Machine (AARM). An AARM possesses the basic features of a conventional register machine and an alternating Turing machine, but can carry…
Relation context has been proved to be useful for many challenging vision tasks. In the field of 3D object detection, previous methods have been taking the advantage of context encoding, graph embedding, or explicit relation reasoning to…
Understanding the interactions between atoms and light is at the heart of atomic physics. Being able to `experiment' with various system parameters, produce plots of the results and interpret these is very useful, especially for those new…
Analysis of three-particle correlations is performed on the basis of simulation data of atomic dynamics in liquid and amorphous aluminium. A three-particle correlation function is introduced to characterize the relative positions of various…
In this paper, by way of three examples - a fourth order low pass active RC filter, a rudimentary BJT amplifier, and an LC ladder - we show, how the algebraic capabilities of modern computer algebra systems can, or in the last example,…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
The acceleration of material property calculations while maintaining ab initio accuracy (1 meV/atom) is one of the major challenges in computational physics. In this paper, we introduce a Python package enhancing the computation of (finite…
Particle accelerator beamline optimization is a high-dimensional control problem traditionally requiring significant expert intervention. We present RLABC (Reinforcement Learning for Accelerator Beamline Control), an open-source Python…
We present ATC, a C++ library for advanced Tucker-based lossy compression of dense multidimensional numerical data in a shared-memory parallel setting, based on the sequentially truncated higher-order singular value decomposition (ST-HOSVD)…
Among the thriving quantum computation and quantum simulation platforms based on arrays of Rydberg atoms, those using circular Rydberg atoms are particularly promising. These atoms uniquely combine the strong dipole-dipole interactions…
The Abstraction and Reasoning Corpus (ARC) provides a compact laboratory for studying abstract reasoning, an ability central to human intelligence. Modern AI systems, including LLMs and ViTs, largely operate as sequence-of-behavior…
The task of factoring integers poses a significant challenge in modern cryptography, and quantum computing holds the potential to efficiently address this problem compared to classical algorithms. Thus, it is crucial to develop quantum…
Parallel computing is omnipresent in today's scientific computer landscape, starting at multicore processors in desktop computers up to massively parallel clusters. While domain decomposition methods have a long tradition in computational…
Trapped neutral atoms have become a prominent platform for quantum science, where entanglement fidelity records have been set using highly-excited Rydberg states. However, controlled two-qubit entanglement generation has so far been limited…