| Functionally graded hydroxyapatite-alumina-zirconia biocomposite: Synergy of toughness and biocompatibility MAF Afzal, P Kesarwani, KM Reddy, S Kalmodia, B Basu, K Balani Materials Science and Engineering: C 32 (5), 1164-1173, 2012 | 139 | 2012 |
| High-throughput molecular dynamics simulations and validation of thermophysical properties of polymers for various applications MAF Afzal, AR Browning, A Goldberg, MD Halls, JL Gavartin, T Morisato, ... ACS Applied Polymer Materials 3 (2), 620-630, 2020 | 73 | 2020 |
| Bactericidal effect of silver-reinforced carbon nanotube and hydroxyapatite composites MAF Afzal, S Kalmodia, P Kesarwani, B Basu, K Balani Journal of biomaterials applications 27 (8), 967-978, 2013 | 62 | 2013 |
| Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining MAF Afzal, M Haghighatlari, SP Ganesh, C Cheng, J Hachmann The Journal of Physical Chemistry C 123 (23), 14610-14618, 2019 | 60 | 2019 |
| Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers MAF Afzal, C Cheng, J Hachmann The Journal of Chemical Physics 148 (24), 2018 | 58 | 2018 |
| Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space J Hachmann, MAF Afzal, M Haghighatlari, Y Pal Molecular Simulation 44 (11), 921-929, 2018 | 49 | 2018 |
| A Deep Neural Network Model for Packing Density Predictions and its Application in the Study of 1.5 Million Organic Molecules MAF Afzal, A Sonpal, M Haghighatlari, AJ Schultz, J Hachmann Chemical Science 10 (36), 8374-8383, 2019 | 46 | 2019 |
| Benchmarking DFT approaches for the calculation of polarizability inputs for refractive index predictions in organic polymers MAF Afzal, J Hachmann Physical Chemistry Chemical Physics 21 (8), 4452-4460, 2019 | 44 | 2019 |
| Enhanced electrical conductivity of suspended carbon nanofibers: effect of hollow structure and improved graphitization SK Das, MAF Afzal, S Srivastava, S Patil, A Sharma Carbon 108, 135-145, 2016 | 35 | 2016 |
| From virtual high-throughput screening and machine learning to the discovery and rational design of polymers for optical applications MAF Afzal State University of New York at Buffalo, 2018 | 19 | 2018 |
| A physics-infused deep learning model for the prediction of refractive indices and its use for the large-scale screening of organic compound space M Haghighatlari, G Vishwakarma, MAF Afzal, J Hachmann | 17 | 2019 |
| Advancing material property prediction: using physics-informed machine learning models for viscosity AK Chew, M Sender, Z Kaplan, A Chandrasekaran, J Chief Elk, ... Journal of Cheminformatics 16 (1), 31, 2024 | 14 | 2024 |
| Molecular-level examination of amorphous solid dispersion dissolution MA Faiz Afzal, K Lehmkemper, E Sobich, TF Hughes, DJ Giesen, T Zhang, ... Molecular Pharmaceutics 18 (11), 3999-4014, 2021 | 14 | 2021 |
| Development of scalable and generalizable machine learned force field for polymers S Mohanty, J Stevenson, AR Browning, L Jacobson, K Leswing, MD Halls, ... Scientific Reports 13 (1), 17251, 2023 | 13 | 2023 |
| Framing the Role of Big Data and Modern Data Science in Chemistry J Hachmann, T Windus, J McLean, V Allwardt, Schrimpe_Rutledge, ... https://www.nsf.gov/mps/che/workshops …, 2018 | 9 | 2018 |
| High-throughput computational studies in catalysis and materials research, and their impact on rational design MAF Afzal, J Hachmann HANDBOOK ON BIG DATA AND MACHINE LEARNING IN THE PHYSICAL SCIENCES: Volume 1 …, 2020 | 7 | 2020 |
| Chemlg–a program suite for the generation of compound libraries and the survey of chemical space MAF Afzal, G Vishwakarma, JA Dudwadkar, M Haghighatlari, ... | 7 | 2019 |
| The Effect of Tacticity and Side Chain Structure on the Coil Dimensions of Polyolefins MAF Afzal, JM Younker, G Rodriguez ChemRxiv, 2018 | 7 | 2018 |
| ChemHTPS–An automated virtual highthroughput screening program suite for chemical and materials data generation J Hachmann, WS Evangelista, MAF Afzal | 5 | 2019 |
| Benchmarking Machine Learning Descriptors for Crystals A Sonpal, MAF Afzal, Y An, A Chandrasekaran, MD Halls Machine Learning in Materials Informatics: Methods and Applications, 111-126, 2022 | 4 | 2022 |
