Publications (13)
Scalable Exact Inference in Multi-Output Gaussian Processes
Wessel P. Bruinsma, Eric Perim, Will Tebbutt +3
Multi-output Gaussian processes (MOGPs) leverage the flexibility and interpretability of GPs while capturing structure across outputs, which is desirable, for example, in spatio-te…
Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases
Eric Perim, Dongwoo Lee, Yanhui Liu +8
Metallic glasses have attracted considerable interest in recent years due to their unique combination of superb properties and processability. Predicting bulk metallic glass former…
Structure and Dynamics of Boron Nitride Nanoscrolls
Eric Perim, Douglas S. Galvao
Carbon nanoscrolls (CNSs) are structures formed by rolling up graphene layers into a papyruslike shape. CNNs have been experimentally produced by different groups. Boron nitride na…
GP-ALPS: Automatic Latent Process Selection for Multi-Output Gaussian Process Models
Pavel Berkovich, Eric Perim, Wessel Bruinsma
A simple and widely adopted approach to extend Gaussian processes (GPs) to multiple outputs is to model each output as a linear combination of a collection of shared, unobserved la…
Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation
Cristiano F. Woellner, Tiago Botari, Eric Perim +1
Schwarzites are crystalline, 3D porous structures with stable negative curvature formed of sp2-hybridized carbon atoms. These structures present topologies with tunable porous size…
Predicting Bulk Metallic Glass Forming Ability with the Thermodynamic Density of Competing Crystalline States
Eric Perim, Dongwoo Lee, Yanhui Liu +8
Despite two decades of studies, the formation of metallic glasses, very promising systems for industrial applications, still remains mostly unexplained. This lack of knowledge hind…
One-dimensional Silicon and Germanium Nanostructures With No Carbon Analogues
Eric Perim, Ricardo Paupitz, Tiago Botari +1
In this work we report new silicon and germanium tubular nanostructures with no corresponding stable carbon analogues. The electronic and mechanical properties of these new tubes w…
The AFLOW Fleet for Materials Discovery
Cormac Toher, Corey Oses, David Hicks +48
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the d…
Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap
Eric Perim, Ricardo Paupitz, Pedro Alves da Silva Atreto +1
By means of ab initio calculations we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet which is geometrically similar to the carbon…
Novel Nanoscroll Structures from Carbon Nitride Layers
Eric Perim, Douglas S. Galvao
Nanoscrolls (papyrus-like nanostructures) are very attractive structures for a variety of applications, due to their tunable diameter values and large accessible surface area. They…
Novel Nanoscroll Structures from Carbon Nitride Layers
Eric Perim, Douglas S. Galvao
Nanoscrolls consist of sheets rolled up into a papyrus-like form. Their open ends produce great radial flexibility, which can be exploited for a large variety of applications, from…
AFLOW-CHULL: Cloud-oriented platform for autonomous phase stability analysis
Corey Oses, Eric Gossett, David Hicks +10
prediction of phase stability of materials is a challenging practice, requiring knowledge of all energetically-competing structures at formation conditions. Lar…
Mechanical Properties and Fracture Patterns of Graphene (Graphitic) Nanowiggles
Rafael A. Bizao, Tiago Botari, Eric Perim +2
Graphene nanowiggles (GNW) are graphene-based nanostructures obtained by making alternated regular cuts in pristine graphene nanoribbons. GNW were recently synthesized and it was d…