Combinatorial–computational–chemoinformatics (C(3)) approach to finding and analyzing low-energy tautomers

por Haranczyk, Maciej, Gutowski, Maciej
Publicado 2010

Machine learning-aided design of composite mycotoxin detoxifier material for animal feed

por Lo Dico, Giulia, Croubels, Siska, Carcelén, Verónica, Haranczyk, Maciej
Publicado 2022

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C(60) fullerene using Nano-QSPR

por Urbaszek, Piotr, Gajewicz, Agnieszka, Sikorska, Celina, Haranczyk, Maciej, Puzyn, Tomasz
Publicado 2017

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

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

Machine-learning-accelerated multimodal characterization and multiobjective design optimization of natural porous materials

por Lo Dico, Giulia, Nuñez, Álvaro Peña, Carcelén, Verónica, Haranczyk, Maciej
Publicado 2021

Accurate Characterization of the Pore Volume in Microporous Crystalline Materials

por Ongari, Daniele, Boyd, Peter G., Barthel, Senja, Witman, Matthew, Haranczyk, Maciej, Smit, Berend
Publicado 2017

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

por Witman, Matthew, Ling, Sanliang, Boyd, Peter, Barthel, Senja, Haranczyk, Maciej, Slater, Ben, Smit, Berend
Publicado 2018

Capturing chemical intuition in synthesis of metal-organic frameworks

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

Rational Design of a Low-Cost, High-Performance Metal–Organic Framework for Hydrogen Storage and Carbon Capture

por Witman, Matthew, Ling, Sanliang, Gladysiak, Andrzej, Stylianou, Kyriakos C., Smit, Berend, Slater, Ben, Haranczyk, Maciej
Publicado 2016

The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

por Witman, Matthew, Ling, Sanliang, Jawahery, Sudi, Boyd, Peter G., Haranczyk, Maciej, Slater, Ben, Smit, Berend
Publicado 2017

In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

por Witman, Matthew, Ling, Sanliang, Anderson, Samantha, Tong, Lianheng, Stylianou, Kyriakos C., Slater, Ben, Smit, Berend, Haranczyk, Maciej
Publicado 2016

Metal–organic framework with optimally selective xenon adsorption and separation

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

Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

por Thornton, Aaron W., Simon, Cory M., Kim, Jihan, Kwon, Ohmin, Deeg, Kathryn S., Konstas, Kristina, Pas, Steven J., Hill, Matthew R., Winkler, David A., Haranczyk, Maciej, Smit, Berend
Publicado 2017

Computationally-Guided Synthetic Control over Pore Size in Isostructural Porous Organic Cages

por Slater, Anna G., Reiss, Paul S., Pulido, Angeles, Little, Marc A., Holden, Daniel L., Chen, Linjiang, Chong, Samantha Y., Alston, Ben M., Clowes, Rob, Haranczyk, Maciej, Briggs, Michael E., Hasell, Tom, Day, Graeme M., Cooper, Andrew I.
Publicado 2017