output
20072023
most citedHow to verify the precision of density-functional-theory implementations via reproducible and universal workflows

87 citations

researchers with a paper here
collaborating institutions

5 papers

cond-mat.mtrl-sci2023★ 87 cited

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Emanuele Bosoni, Louis Beal, Marnik Bercx +42

In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter phys…

cs.LG2021★ 66 cited

Anomaly Detection in Predictive Maintenance: A New Evaluation Framework for Temporal Unsupervised Anomaly Detection Algorithms

Jacinto Carrasco, Irina Markova, David López +6

The research in anomaly detection lacks a unified definition of what represents an anomalous instance. Discrepancies in the nature itself of an anomaly lead to multiple paradigms o…

cond-mat.soft2018★ 8 cited

Particle dynamics simulation of wet granulation in a rotating drum

Thanh Trung Vo, Saeid Nezamabadi, Patrick Mutabaruka +4

We simulate the granulation process of solid spherical particles in the presence of a viscous liquid in a horizontal rotating drum by using molecular dynamics simulations in three…

physics.class-ph2013

Modélisation micromagnétique du comportement magnéto-mécanique

Frederick Mballa Mballa, Olivier Hubert, Song He +2

A magneto-mechanical static modeling of ferromagnetic particle based on minimization of an energy function is presented. This modeling is made of a conjugate gradient method couple…

cond-mat.mtrl-sci2007

Dust formation by bubble-burst phenomenon at the surface of a liquid steel bath

Anne-Gwénaëlle Guézennec, Jean-Christophe Huber, Fabrice Patisson +3

We have developed an experimental device for studying the main mechanism of dust formation in electric arc furnace steelmaking: the burst of gas bubbles at the liquid steel surface…