Computing Heavy Elements

TL;DR

This paper discusses the importance of computational methods in nuclear density functional theory for heavy elements, highlighting recent advancements enabled by high-performance computing and large-scale collaborations.

Contribution

It provides an overview of computational challenges and recent achievements in applying nuclear DFT to heavy elements using high-performance computing.

Findings

Advancements in computational techniques for nuclear DFT.

Successful large-scale collaborative efforts like SciDAC 2 UNEDF.

Enhanced ability to predict properties of heavy elements.

Abstract

Reliable calculations of the structure of heavy elements are crucial to address fundamental science questions such as the origin of the elements in the universe. Applications relevant for energy production, medicine, or national security also rely on theoretical predictions of basic properties of atomic nuclei. Heavy elements are best described within the nuclear density functional theory (DFT) and its various extensions. While relatively mature, DFT has never been implemented in its full power, as it relies on a very large number (~ 10^9-10^12) of expensive calculations (~ day). The advent of leadership-class computers, as well as dedicated large-scale collaborative efforts such as the SciDAC 2 UNEDF project, have dramatically changed the field. This article gives an overview of the various computational challenges related to the nuclear DFT, as well as some of the recent achievements.