Daniel Schwalbe-Koda

According to our database, Daniel Schwalbe-Koda authored at least 6 papers between 2019 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Information theory unifies atomistic machine learning, uncertainty quantification, and materials thermodynamics.

Daniel Schwalbe-Koda, Sébastien Hamel, Babak Sadigh, Fei Zhou, Vincenzo Lordi

CoRR, 2024

2023

Data efficiency and extrapolation trends in neural network interatomic potentials.

Joshua A. Vita, Daniel Schwalbe-Koda

Mach. Learn. Sci. Technol., September, 2023

Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances.

Daniel Schwalbe-Koda, Daniel E. Widdowson, Tuan Anh Pham, Vitaliy A. Kurlin

CoRR, 2023

mkite: A distributed computing platform for high-throughput materials simulations.

Daniel Schwalbe-Koda

CoRR, 2023

2021

Adversarial Attacks on Uncertainty Enable Active Learning for Neural Network Potentials.

Daniel Schwalbe-Koda, Aik Rui Tan, Rafael Gómez-Bombarelli

CoRR, 2021

2019

Generative Models for Automatic Chemical Design.

Daniel Schwalbe-Koda, Rafael Gómez-Bombarelli

CoRR, 2019