252 citations · 1.7k across the 56 of their papers we have counts for
60 papers
Unbiased Atomistic Predictions of Crystal Dislocation Dynamics using Bayesian Force Fields
Cameron J. Owen, Amirhossein D. Naghdi, Anders Johansson +3
Crystal dislocation dynamics, especially at high temperatures, represents a subject where experimental phenomenological input is commonly required, and parameter-free predictions,…
Transfer Learning in Materials Informatics: structure-property relationships through minimal but highly informative multimodal input
Dario Massa, Grzegorz Kaszuba, Stefanos Papanikolaou +1
In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with h…
Compositional Search of Stable Crystalline Structures in Multi-Component Alloys Using Generative Diffusion Models
Grzegorz Kaszuba, Amirhossein Naghdi Dorabati, Stefanos Papanikolaou +2
Exploring the vast composition space of multi-component alloys presents a challenging task for both \textit{ab initio} (first principles) and experimental methods due to the time-c…
Neural Network Interatomic Potentials For Open Surface Nano-mechanics Applications
Amirhossein D. Naghdi, Franco Pellegrini, Emine Küçükbenli +4
Material characterization in nano-mechanical tests requires precise interatomic potentials for the computation of atomic energies and forces with near-quantum accuracy. For such pu…
Serrated plastic flow in slowly-deforming complex concentrated alloys: universal signatures of dislocation avalanches
Kamran Karimi, Amin Esfandiarpour, Stefanos Papanikolaou
Under plastic flow, multi-element high/medium-entropy alloys (HEAs/MEAs) commonly exhibit complex intermittent and collective dislocation dynamics owing to inherent lattice distort…
Alloy Informatics through Ab Initio Charge Density Profiles: Case Study of Hydrogen Effects in Face-Centered Cubic Crystals
Dario Massa, Efthimios Kaxiras, Stefanos Papanikolaou
Materials design has traditionally evolved through trial-error approaches, mainly due to the non-local relationship between microstructures and properties such as strength and toug…