Mojtaba Haghighatlari

Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space

Mohammad Atif Faiz Afzal, Johannes Hachmann, Mojtaba Haghighatlari, 2018 .

ChemML: A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data

Srirangaraj Setlur, Bhargava Urala Kota, Johannes Hachmann, 2020 .

Learning to Make Chemical Predictions: the Interplay of Feature Representation, Data, and Machine Learning Algorithms

Farnaz Heidar-Zadeh, Yuchen Liu, Teresa Head-Gordon, 2020, 2003.00157.

IPAM Program on Machine Learning & Many-Particle Systems-Recent Progress and Open Problems

Farnaz Heidar-Zadeh, Jerzy Hoja, Marina Meila, 2017 .

Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining

Mohammad Atif Faiz Afzal, Johannes Hachmann, Chong Cheng, 2019, The Journal of Physical Chemistry C.

ChemML: A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data

Srirangaraj Setlur, Bhargava Urala Kota, Johannes Hachmann, 2019, WIREs Computational Molecular Science.