相关论文: Automatic code generation enables nuclear gradient…

Neural network potentials (NNPs) enable large-scale molecular dynamics (MD) simulations of systems containing >10,000 atoms with the accuracy comparable to ab initio methods and play a crucial role in material studies. Although NNPs are…

To explore the applicability of orbital-free density functional theory (OF-DFT) in nuclear physics, we perform a systematic benchmark of 36 one-point kinetic energy density functionals, which are originally developed for electron systems in…

The recent construction of integrable quantum field theories on two-dimensional Minkowski space by operator-algebraic methods is extended to models with a richer particle spectrum, including finitely many massive particle species…

Learning representations of molecular structures using deep learning is a fundamental problem in molecular property prediction tasks. Molecules inherently exist in the real world as three-dimensional structures; furthermore, they are not…

EASY-II is designed as a functional replacement for the previous European Activation System, EASY-2010. It has extended nuclear data and new software, FISPACT-II, written in object-style Fortran to provide new capabilities for predictions…

In distributed optimization problems, a technique called gradient coding, which involves replicating data points, has been used to mitigate the effect of straggling machines. Recent work has studied approximate gradient coding, which…

For validation and development of codes and for modeling isotope production in high power accelerators and APT Materials studies, we have produced experimental, calculated, and evaluated activation libraries for interaction of nucleons with…

Given a Hopf algebra $A$ graded by a discrete group together with an action of the same group preserving the grading, we define a new Hopf algebra, which we call the graded twisting of $A$. If the action is adjoint, this new Hopf algebra is…

We propose a method for automatically generating abstract transformers for static analysis by abstract interpretation. The method focuses on linear constraints on programs operating on rational, real or floating-point variables and…

We construct a 2-category of differential graded schemes. The local affine models in this theory are differential graded algebras, which are graded commutative with unit over a field of characteristic zero, are concentrated in non-positive…

We present a real-space adaptive-coordinate method, which combines the advantages of the finite-difference approach with the accuracy and flexibility of the adaptive coordinate method. The discretized Kohn-Sham equations are written in…

This paper proposes a method for generating software components for embedded systems, integrating seamlessly into existing implementations without developer intervention. We demonstrate this by automatically generating hardware abstraction…

The algebra of differential geometry operations on symmetric tensors over constant curvature manifolds forms a novel deformation of the sl(2,R) [semidirect product] R^2 Lie algebra. We present a simple calculus for calculations in its…

In earlier work, we have developed a Kinetic Field Theory (KFT) for cosmological structure formation and showed that the non-linear density-fluctuation power spectrum known from numerical simulations can be reproduced quite well even if…

Multireference systems are usually challenging to investigate using ab initio methods as they require an accurate description of static electron correlation. The urgency of developing similar approaches is even more pressing when molecules…

Finite element simulations are run by package design engineers to model design structures. The process is irreversible meaning every minute structural adjustment requires a fresh input parameter run. In this paper, the problem of modeling…

We report an atomically-precise integration of individual nitrogen (N) dopant as an in-plane artificial nucleus in a graphene device by atomic implantation to probe its gate-tunable quantum states and correlation effects. The N dopant…

This work deals with the theory of a quantized spin-2 field in the framework of causal perturbation theory. It is divided into two parts. In the first part we analyze the gauge structure of a massless self-interacting quantum tensor field.…

Quantum devices may overcome limitations of classical computers in studies of nuclear structure functions and parton Wigner distributions of protons and nuclei. In this talk, we discuss a worldline approach to compute nuclear structure…

We show that the coherent oscillations of a spin-2 field from bimetric theory can easily account for the observed dark matter abundance. We obtain the equation of motion for the field in a cosmological setting and discuss in detail the…