147 citations · 495 across the 14 of their papers we have counts for
14 papers
Automatic graph representation algorithm for heterogeneous catalysis
Zachary Gariepy, ZhiWen Chen, Isaac Tamblyn +2
One of the most appealing aspects of machine learning for material design is its high throughput exploration of chemical spaces, but to reach the ceiling of ML-aided exploration, m…
Sparse random Fourier features based interatomic potentials for high entropy alloys
Gurjot Dhaliwal, Abu Anand, Prasanth B. Nair +1
Computational modeling of high entropy alloys (HEA) is challenging given the scalability issues of Density functional theory (DFT) and the non-availability of Interatomic potential…
The benefits of structural disorder in natural cellular solids
Derek Aranguren van Egmond, Bosco Yu, Sahar Choukir +4
Structural cellular materials in nature, such as wood, trabecular bone, corals, and dentin combine complex biological functions with structural roles, such as skeletal support and…
Neural evolution structure generation: High Entropy Alloys
Conrard Giresse Tetsassi Feugmo, Kevin Ryczko, Abu Anand +2
We propose a method of neural evolution structures (NESs) combining artificial neural networks (ANNs) and evolutionary algorithms (EAs) to generate High Entropy Alloys (HEAs) struc…
Effect of He on the Order-Disorder Transition in Ni3Al under Irradiation
Peyman Saidi, Pooyan Changizian, Eric Nicholson +6
The order-disorder transition in Ni-Al alloys under irradiation represents an interplay between various re-ordering processes and disordering due to thermal spikes generated by inc…
Hindered surface diffusion of bonded molecular clusters mediated by surface defects
William S. Huxter, Chandra Veer Singh, Jun Nogami
The design of low dimensional materials through surface assisted self-assembly requires a better understanding of the factors that limit and control surface diffusion. We reveal ho…