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Theoretical and Computational Chemistry

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Aini Palizhati

2 results in Authors: Aini Palizhati

Theoretical and Computational Chemistry

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

Aini Palizhati, Muratahan Aykol, Santosh Suram, Jens Strabo Hummelshøj, Joseph H. Montoya

Version 1 posted 29 March 2021

592

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2

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Theoretical and Computational Chemistry

Predicting Intermetallic Surface Energies with High-Throughput DFT and Convolutional Neural Networks

Aini Palizhati, Wen Zhong, Kevin Tran, Zachary Ulissi

Version 1 posted 08 July 2019

1,096

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