output
20082025
most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations

82 papers

cs.DC2025

An Incremental Multi-Level, Multi-Scale Approach to Assessment of Multifidelity HPC Systems

Shilpika Shilpika, Bethany Lusch, Venkatram Vishwanath +1

With the growing complexity in architecture and the size of large-scale computing systems, monitoring and analyzing system behavior and events has become daunting. Monitoring data…

astro-ph.IM2021

Extreme Scale Survey Simulation with Python Workflows

A. S. Villarreal, Yadu Babuji, Tom Uram +3

The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) will soon carry out an unprecedented wide, fast, and deep survey of the sky in multiple optical bands. The data…

cs.DC2021★ 1 cited

Workflows Community Summit: Bringing the Scientific Workflows Community Together

Rafael Ferreira da Silva, Henri Casanova, Kyle Chard +42

Scientific workflows have been used almost universally across scientific domains, and have underpinned some of the most significant discoveries of the past several decades. Many of…

nucl-th2020★ 94 cited

Variational Monte Carlo calculations of nuclei with an artificial neural-network correlator ansatz

Corey Adams, Giuseppe Carleo, Alessandro Lovato +1

The complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where non-perturbative interactions are prominent. Artificial neur…

physics.comp-ph2020★ 42 cited

Latent-space time evolution of non-intrusive reduced-order models using Gaussian process emulation

Romit Maulik, Themistoklis Botsas, Nesar Ramachandra +2

Non-intrusive reduced-order models (ROMs) have recently generated considerable interest for constructing computationally efficient counterparts of nonlinear dynamical systems emerg…

hep-ph2020★ 28 cited

Near-conformal dynamics in a chirally broken system

Thomas Appelquist, Richard C. Brower, Kimmy K. Cushman +11

Composite Higgs models must exhibit very different dynamics from quantum chromodynamics (QCD) regardless whether they describe the Higgs boson as a dilatonlike state or a pseudo-Na…