An autonomous laboratory for the accelerated synthesis of novel materials NJ Szymanski, B Rendy, Y Fei, RE Kumar, T He, D Milsted, MJ McDermott, ... Nature 624 (7990), 86-91, 2023 | 141 | 2023 |
Toward autonomous design and synthesis of novel inorganic materials NJ Szymanski, Y Zeng, H Huo, CJ Bartel, H Kim, G Ceder Materials horizons 8 (8), 2169-2198, 2021 | 106 | 2021 |
Probabilistic deep learning approach to automate the interpretation of multi-phase diffraction spectra NJ Szymanski, CJ Bartel, Y Zeng, Q Tu, G Ceder Chemistry of Materials 33 (11), 4204-4215, 2021 | 70 | 2021 |
Electronic and optical properties of vanadium oxides from first principles NJ Szymanski, ZTY Liu, T Alderson, NJ Podraza, P Sarin, SV Khare Computational Materials Science 146, 310-318, 2018 | 64 | 2018 |
First-principles study of mechanical and magnetic properties of transition metal (M) nitrides in the cubic M4N structure V Adhikari, ZTY Liu, NJ Szymanski, I Khatri, D Gall, P Sarin, SV Khare Journal of Physics and Chemistry of Solids 120, 197-206, 2018 | 48 | 2018 |
Dynamical stabilization in delafossite nitrides for solar energy conversion NJ Szymanski, LN Walters, O Hellman, D Gall, SV Khare Journal of Materials Chemistry A 6 (42), 20852-20860, 2018 | 27 | 2018 |
Improved optoelectronic properties in CdSexTe1− x through controlled composition and short-range order BB Dumre, NJ Szymanski, V Adhikari, I Khatri, D Gall, SV Khare Solar Energy 194, 742-750, 2019 | 26 | 2019 |
Electronic, optical, and thermoelectric properties of sodium pnictogen chalcogenides: A first principles study IS Khare, NJ Szymanski, D Gall, RE Irving Computational Materials Science 183, 109818, 2020 | 25 | 2020 |
Prediction of improved magnetization and stability in Fe16N2 through alloying NJ Szymanski, V Adhikari, MA Willard, P Sarin, D Gall, SV Khare Journal of Applied Physics 126 (9), 2019 | 25 | 2019 |
First principles investigation into the phase stability and enhanced hardness of TiN-ScN and TiN-YN alloys V Adhikari, NJ Szymanski, I Khatri, D Gall, SV Khare Thin Solid Films 688, 137284, 2019 | 24 | 2019 |
Unconventional superconductivity in 3d rocksalt transition metal carbides NJ Szymanski, I Khatri, JG Amar, D Gall, SV Khare Journal of Materials Chemistry C 7 (40), 12619-12632, 2019 | 23 | 2019 |
Understanding the fluorination of disordered rocksalt cathodes through rational exploration of synthesis pathways NJ Szymanski, Y Zeng, T Bennett, S Patil, JK Keum, EC Self, J Bai, Z Cai, ... Chemistry of Materials 34 (15), 7015-7028, 2022 | 22 | 2022 |
Correlating structure and orbital occupation with the stability and mechanical properties of 3d transition metal carbides I Khatri, NJ Szymanski, BB Dumre, JG Amar, D Gall, SV Khare Journal of Alloys and Compounds 891, 161866, 2022 | 20 | 2022 |
Adaptively driven X-ray diffraction guided by machine learning for autonomous phase identification NJ Szymanski, CJ Bartel, Y Zeng, M Diallo, H Kim, G Ceder npj Computational Materials 9 (1), 31, 2023 | 17 | 2023 |
Design of heteroanionic Moon exhibiting a peierls metal-insulator transition NJ Szymanski, LN Walters, D Puggioni, JM Rondinelli Physical review letters 123 (23), 236402, 2019 | 16 | 2019 |
Autonomous and dynamic precursor selection for solid-state materials synthesis NJ Szymanski, P Nevatia, CJ Bartel, Y Zeng, G Ceder Nature communications 14 (1), 6956, 2023 | 13 | 2023 |
Alternate Synthesis Method for High‐Performance Manganese Rich Cation Disordered Rocksalt Cathodes S Patil, D Darbar, EC Self, T Malkowski, VC Wu, R Giovine, NJ Szymanski, ... Advanced Energy Materials 13 (4), 2203207, 2023 | 12 | 2023 |
Modeling short-range order in disordered rocksalt cathodes by pair distribution function analysis NJ Szymanski, Z Lun, J Liu, EC Self, CJ Bartel, J Nanda, B Ouyang, ... Chemistry of Materials 35 (13), 4922-4934, 2023 | 9 | 2023 |
Effects of cation and anion substitution in KVPO4F for K-ion batteries YW Byeon, MJ Gong, Z Cai, Y Sun, NJ Szymanski, J Bai, DH Seo, H Kim Energy Storage Materials 57, 81-91, 2023 | 9 | 2023 |
Validating neural networks for spectroscopic classification on a universal synthetic dataset J Schuetzke, NJ Szymanski, M Reischl npj Computational Materials 9 (1), 100, 2023 | 6 | 2023 |