10 citations · 10 across the 1 of their papers we have counts for
3 papers
physics.comp-ph2020★ 10 cited
Spectral Neural Network Potentials for Binary Alloys
David Zagaceta, Howard Yanxon, Qiang Zhu
In this work, we present a numerical implementation to compute the atom centered descriptors introduced by Bartok et al (Phys. Rev. B, 87, 184115, 2013) based on the harmonic analy…
physics.comp-ph2020
Neural Networks Potential from the Bispectrum Component: A Case Study on Crystalline Silicon
Howard Yanxon, David Zagaceta, Brandon C. Wood +1
In this article, we present a systematic study in developing machine learning force fields (MLFF) for crystalline silicon. While the main-stream approach of fitting a MLFF is to us…
cond-mat.mtrl-sci2019
High Dielectric Ternary Oxides from Crystal Structure Prediction and High-throughput Screening
Jingyu Qu, David Zageceta, Weiwei Zhang +1
The development of new high dielectric materials is essential for advancement in modern electronics. Oxides are generally regarded as the most promising class of high dielectric ma…