Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks

por Aditi S. Krishnapriyan, Joseph Montoya, Maciej Haranczyk, Jens Hummelshøj, Dmitriy Morozov
Publicado 2021

Capturing chemical intuition in synthesis of metal-organic frameworks

por Seyed Mohamad Moosavi, Arunraj Chidambaram, Leopold Talirz, Maciej Haranczyk, Kyriakos C. Stylianou, Berend Smit
Publicado 2019

Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning

por Bharat Medasani, Anthony Gamst, Hong Ding, Wei Chen, Kristin A Persson, Mark Asta, Andrew Canning, Maciej Haranczyk
Publicado 2016

Metal–organic framework with optimally selective xenon adsorption and separation

por Debasis Banerjee, Cory M. Simon, Anna M. Plonka, Radha K. Motkuri, Jian Liu, Xianyin Chen, Berend Smit, John B. Parise, Maciej Haranczyk, Praveen K. Thallapally
Publicado 2016