English
Related papers

Related papers: Towards next-generation optical potentials for nuc…

200 papers

A set of global optical potential parameters, DA1p, for deuterons with the $1p$-shell nuclei is obtained by simultaneously fitting 67 sets of experimental data of deuteron elastic scattering from \nuc{6}{Li}, \nuc{9}{Be}, \nuc{10}{B},…

Nuclear Experiment · Physics 2016-08-24 Y. Zhang , D. Y. Pang , J. L. Lou

Machine learning interatomic potentials (MLPs) are a promising technique for atomic modeling. While high accuracy and small errors are widely reported for MLPs, an open concern is whether MLPs can accurately reproduce atomistic dynamics and…

Materials Science · Physics 2023-10-02 Yunsheng Liu , Xingfeng He , Yifei Mo

The recent explosive compute growth, mainly fueled by the boost of AI and DNNs, is currently instigating the demand for a novel computing paradigm that can overcome the insurmountable barriers imposed by conventional electronic computing…

Tamura coupling model has been extended to consider the coupling of additional low-lying rotational bands to the ground state band. Rotational bands are built on vibrational bandheads (even-even targets) or single particle bandheads…

Nuclear Theory · Physics 2017-07-05 E. Sh. Soukhovitskii , R. Capote , J. M. Quesada , S. Chiba , D. S. Martyanov

Machine-learned interatomic potentials (MLIPs) are increasingly used to replace computationally demanding electronic-structure calculations to model matter at the atomic scale. The most commonly used model architectures are constrained to…

Chemical Physics · Physics 2026-03-30 Filippo Bigi , Paolo Pegolo , Arslan Mazitov , Jonathan Schmidt , Michele Ceriotti

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

A brief overview of various approaches to the optical-model description of nuclei is presented. A survey of some of the formal aspects is given which links the Feshbach formulation for either the hole or particle Green's function to the…

Nuclear Theory · Physics 2019-03-27 Willem H. Dickhoff , Robert J. Charity

Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…

Materials Science · Physics 2022-09-20 Joe D. Morrow , Volker L. Deringer

Machine learning (ML) approaches enable large-scale atomistic simulations with near-quantum-mechanical accuracy. With the growing availability of these methods there arises a need for careful validation, particularly for physically agnostic…

Chemical Physics · Physics 2023-06-06 Joe D. Morrow , John L. A. Gardner , Volker L. Deringer

Machine learning (ML) based interatomic potentials have transformed the field of atomistic materials modelling. However, ML potentials depend critically on the quality and quantity of quantum-mechanical reference data with which they are…

Computational Physics · Physics 2023-08-01 John L. A. Gardner , Kathryn T. Baker , Volker L. Deringer

Organometallic complexes have potential applications as the optically active components of organic light emitting diodes (OLEDs) and organic photovoltaics (OPV). Development of more effective complexes may be aided by understanding their…

Chemical Physics · Physics 2011-02-14 A. C. Jacko , Ross H. McKenzie , B. J. Powell

The past decade has witnessed a spectacular development of machine-learned interatomic potentials (MLIPs), to the extent that they are already the approach of choice for most atomistic simulation studies not requiring an explicit treatment…

Materials Science · Physics 2025-11-24 Iñigo Robredo-Magro , Binayak Mukherjee , Hugo Aramberri , Jorge Íñiguez-González

Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of…

Astrophysics · Physics 2007-05-23 Manuel A. Bautista

Nuclear reaction data required for astrophysics and applications is incomplete, as not all nuclear reactions can be measured or reliably predicted. Neutron-induced reactions involving unstable targets are particularly challenging, but often…

After a historical review, I present the progress in the field of realistic NN potentials that we have seen in recent years. A new generation of very quantitative (high-quality/high-precision) NN potentials has emerged. These potentials…

Nuclear Theory · Physics 2009-10-31 R. Machleidt

The development of machine learning interatomic potentials faces a critical computational bottleneck with the generation and labeling of useful training datasets. We present a novel application of determinantal point processes (DPPs) to the…

Applications · Statistics 2026-03-24 Joanna Zou , Youssef Marzouk

In ab initio nuclear structure theory, accurately predicting electromagnetic observables, such as moments and transition rates, is essential for a comprehensive understanding of nuclear properties. However, computational limitations and…

Nuclear Theory · Physics 2025-12-22 Marco Knöll , Marc L. Agel , Tobias Wolfgruber , Pieter Maris , Robert Roth

Optical potential parameters in nuclear model calculations are determined by fitting elastic scattering angular distribution data. Due to the dominance of Coulomb part, elastic scattering is performed at much higher energies. A different…

Nuclear Theory · Physics 2022-09-07 Dipali Basak , Chinmay Basu

Nuclear scales are discussed from the nuclear physics viewpoint. The conventional nuclear potential is characterized as a black box that interpolates nucleon-nucleon (NN) data, while being constrained by the best possible theoretical input.…

Nuclear Theory · Physics 2007-05-23 J. L. Friar

Recent developments in machine learning interatomic potentials (MLIPs) have empowered even non-experts in machine learning to train MLIPs for accelerating materials simulations. However, the current literature lacks clear standards for…

Chemical Physics · Physics 2024-01-05 Tristan Maxson , Ademola Soyemi , Benjamin W. J. Chen , Tibor Szilvási