112 citations · 557 across the 18 of their papers we have counts for
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Cross-Geometry Transferability Assessment of Universal Machine Learning Interatomic Potentials: From Bulk Materials to Atomic Nanowires
Pedro H. M. Zanineli, Bruno Focassio, Gabriel R. Schleder
Foundation machine-learning interatomic potentials (MLIPs) enable atomistic simulations at substantially lower computational cost than first-principles methods, but their reliabili…
Heterogeneous Molecular Signatures of Human Odor Perception
P. Zanineli, E. V. C. Lopes, G. R. Schleder +3
Understanding how molecular structure gives rise to odor perception remains a long-standing challenge, with ongoing debate over whether olfaction is primarily governed by molecular…
Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials' Surfaces
Bruno Focassio, Luis Paulo Mezzina Freitas, Gabriel R. Schleder
Machine learning interatomic potentials (MLIPs) are one of the main techniques in the materials science toolbox, able to bridge ab initio accuracy with the computational efficiency…
One-Dimensional Moiré Physics and Chemistry in Heterostrained Bilayer Graphene
Gabriel R. Schleder, Michele Pizzochero, Efthimios Kaxiras
Twisted bilayer graphene (tBLG) has emerged as a promising platform to explore exotic electronic phases. However, the formation of moiré patterns in tBLG has thus far been confined…
Domain-dependent surface adhesion in twisted few-layer graphene: Platform for moiré-assisted chemistry
Valerie Hsieh, Dorri Halbertal, Nathan R. Finney +13
Twisted van der Waals multilayers are widely regarded as a rich platform to access novel electronic phases, thanks to the multiple degrees of freedom such as layer thickness and tw…
Twistronics of Janus transition metal dichalcogenide bilayers
Mattia Angeli, Gabriel R. Schleder, Efthimios Kaxiras
Twisted multilayers of two-dimensional (2D) materials are an increasingly important platform for investigating quantum phases of matter, and in particular, strongly correlated elec…