N. Scott Bobbitt

Inverse design of nanoporous crystalline reticular materials with deep generative models

Zhenpeng Yao, Benjamín Sánchez-Lengeling, N. Scott Bobbitt et al. · Nature Machine Intelligence · 2021 · 359 citations · Full text

Materials Science, Engineering, Nanoporous Material +9

Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks

Benjamin J. Bucior, N. Scott Bobbitt, Timur İslamoğlu et al. · Molecular Systems Design & Engineering · 2018 · 301 citations · Full text

Materials Science, Hydrogen Energy Technology, Chemical Engineering +15

High-Throughput Screening of Metal–Organic Frameworks for Hydrogen Storage at Cryogenic Temperature

N. Scott Bobbitt, Jiayi Chen, Randall Q. Snurr · The Journal of Physical Chemistry C · 2016 · 187 citations

Hydrogen Energy Technology, Engineering, Nanoporous Material +17

Molecular modelling and machine learning for high-throughput screening of metal-organic frameworks for hydrogen storage

N. Scott Bobbitt, Randall Q. Snurr · Molecular Simulation · 2019 · 111 citations

Hydrogen Energy Technology, Engineering, Machine Learning +18

MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials

N. Scott Bobbitt, Kaihang Shi, Benjamin J. Bucior et al. · Journal of Chemical & Engineering Data · 2023 · 87 citations · Full text

Online Database, Engineering, Machine Learning +26