Saerom Choi

dblp:116/7465 · DBLP profile ↗
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2ranked-venue papers
1as first author
1since 2021 · last 2023
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021Applied, interdisciplinary, general and emerging computing · 1 · 1 first-author

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 100%
Computer architecture, parallel and distributed computing, and storage systems
1 paper
Performance modeling and evaluation · 100%
Artificial intelligence
1 paper
Graph learning · 100%

Topics — the 5 heaviest of 5, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Computational science and engineering › computational chemistry › molecular simulation › molecular dynamics
machine learning force field
0.712023
Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis · NeurIPS 2023
Computational science and engineering › materials science
materials science simulation
0.712023
Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis · NeurIPS 2023
Performance modeling and evaluation
benchmarking
0.712023
Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis · NeurIPS 2023
Machine learning › Graph learning › graph neural network › geometric graph neural network
equivariant graph neural network
0.212023
Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis · NeurIPS 2023
Machine learning › Graph learning
graph neural network
0.212023
Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis · NeurIPS 2023

Methods — techniques the papers use, named apart from their topics

graph neural network · 2.0descriptor-based neural networks · 2.0density functional theory · 2.0
YearPublicationVenuePosition
2023 Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis
abstract
As semiconductor devices become miniaturized and their structures become more complex, there is a growing need for large-scale atomic-level simulations as a less costly alternative to the trial-and-error approach during development.Although machine learning force fields (MLFFs) can meet the accuracy and scale requirements for such simulations, there are no open-access benchmarks for semiconductor materials.Hence, this study presents a comprehensive benchmark suite that consists of two semiconductor material datasets and ten MLFF models with six evaluation metrics. We select two important semiconductor thin-film materials silicon nitride and hafnium oxide, and generate their datasets using computationally expensive density functional theory simulations under various scenarios at a cost of 2.6k GPU days.Additionally, we provide a variety of architectures as baselines: descriptor-based fully connected neural networks and graph neural networks with rotational invariant or equivariant features.We assess not only the accuracy of energy and force predictions but also five additional simulation indicators to determine the practical applicability of MLFF models in molecular dynamics simulations.To facilitate further research, our benchmark suite is available at https://github.com/SAITPublic/MLFF-Framework.
Geonu Kim, Byunggook Na, Gunhee Kim, Hyuntae Cho, Seungjin Kang, Hee Sun Lee, Saerom Choi, Heejae Kim, Yongdeok Kim
NeurIPS7
2012 The Korean Web-Based AAC Board Making System
Saerom Choi, Heeyeon Lee, Ki-Hyung Hong
ICCHP (2)1