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Nathan Szymanski
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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
912021
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
672023
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
642018
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
602021
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
462018
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
252018
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
242020
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
242019
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
242019
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
232019
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
222019
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
172022
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
172022
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
162019
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
122023
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
92023
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
72023
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
72023
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
62023
Validating neural networks for spectroscopic classification on a universal synthetic dataset
J Schuetzke, NJ Szymanski, M Reischl
npj Computational Materials 9 (1), 100, 2023
52023
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Articles 1–20