Sanggyu Chong

École Polytechnique Fédérale de Lausanne — Switzerland

Chemistry · Physical Sciences

16h-index1.1kcitations41works7.22yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(14), Machine Learning in Materials Science(14), Protein Structure and Dynamics(4), Graphene research and applications(4), Computational Drug Discovery Methods(4)

Publications41 total

A foundation model for atomistic materials chemistry
The Journal of Chemical Physics·2025· 65 citedOpen Access
Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning
arXiv (Cornell University)·2025Open Access
Author response for "Uncertainty in the era of machine learning for atomistic modeling"
2025
FlashMD: long-stride, universal prediction of molecular dynamics
ArXiv.org·2025· 1 citedOpen Access
Uncertainty in the era of machine learning for atomistic modeling
arXiv (Cornell University)·2025Open Access
Adaptive energy reference for machine-learning models of the electronic density of states
Physical Review Materials·2025· 6 citedOpen Access
Uncertainty in the era of machine learning for atomistic modeling
Digital Discovery·2025· 2 citedOpen Access
Discovering structure–property correlations: general discussion
Faraday Discussions·2024· 1 citedOpen Access
Topology-Guided Construction of Three-Dimensional, π-d Conjugated Metal–Organic Frameworks
2024Open Access
A prediction rigidity formalism for low-cost uncertainties in trained neural networks
Machine Learning Science and Technology·2024· 7 citedOpen Access
Prediction rigidities for data-driven chemistry
Faraday Discussions·2024· 8 citedOpen Access
Adaptive energy reference for machine-learning models of the electronic density of states
arXiv (Cornell University)·2024Open Access
Structural Determinants of Chirally Selective Transport of Amino Acids through the α-Hemolysin Protein Nanopores of Free-Standing Planar Lipid Membranes
Nano Letters·2024· 3 cited
Graph-Network-Based Predictive Modeling for Highly Cross-Linked Polymer Systems
arXiv (Cornell University)·2023· 2 citedOpen Access
Robustness of Local Predictions in Atomistic Machine Learning Models
Journal of Chemical Theory and Computation·2023· 29 citedOpen Access
Flash-Thermal Shock Synthesis of Single Atoms in Ambient Air
ACS Nano·2023· 24 cited
In Silico Design of Metal–Organic Frameworks Using Cooperative Binding of Two Metal Catecholates
The Journal of Physical Chemistry C·2023· 1 cited
Robustness of Local Predictions in Atomistic Machine Learning Models
arXiv (Cornell University)·2023Open Access
Rapid and Reversible Sensing Performance of Hydrogen-Substituted Graphdiyne
ACS Sensors·2023· 15 cited
Oxide/ZIF‐8 Hybrid Nanofiber Yarns: Heightened Surface Activity for Exceptional Chemiresistive Sensing (Adv. Mater. 10/2022)
Advanced Materials·2022· 3 cited
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Frequent Co-authors

Jihan Kim(27), Federico Grasselli(9), Michele Ceriotti(8), Dong‐Ha Kim(7), Il‐Doo Kim(7), Ji‐Soo Jang(6), Chungseong Park(4), Filippo Bigi(4), Volker L. Deringer(4), Venkat Kapil(4), Kevin Rossi(4), Jaewan Ahn(3), Soo‐Yeon Cho(3), Hee‐Tae Jung(3), Hamin Shin(3), Chiheb Ben Mahmoud(3), Sven M. J. Rogge(3), Silvia Bonfanti(3), Hong Ju Jung(2), Sang Ouk Kim(2)