| Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ... Computational Materials Science 139, 140-152, 2017 | 449 | 2017 |
| Characterization of a functionally graded material of Ti-6Al-4V to 304L stainless steel with an intermediate V section LD Bobbio, B Bocklund, R Otis, JP Borgonia, RP Dillon, AA Shapiro, ... Journal of Alloys and Compounds 742, 1031-1036, 2018 | 147 | 2018 |
| ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu-Mg B Bocklund, R Otis, A Egorov, A Obaied, I Roslyakova, ZK Liu MRS Communications 9 (2), 618-627, 2019 | 108 | 2019 |
| First-principles thermodynamic theory of Seebeck coefficients Y Wang, YJ Hu, B Bocklund, SL Shang, BC Zhou, ZK Liu, LQ Chen Zentropy, 211-232, 2024 | 99 | 2024 |
| Experimental validation of Scheil–Gulliver simulations for gradient path planning in additively manufactured functionally graded materials B Bocklund, LD Bobbio, RA Otis, AM Beese, ZK Liu Materialia 11, 100689, 2020 | 95 | 2020 |
| Adsorption-controlled growth of Ga2O3 by suboxide molecular-beam epitaxy P Vogt, FVE Hensling, K Azizie, CS Chang, D Turner, J Park, ... Apl Materials 9 (3), 2021 | 89 | 2021 |
| Suitability of binary oxides for molecular-beam epitaxy source materials: A comprehensive thermodynamic analysis KM Adkison, SL Shang, BJ Bocklund, D Klimm, DG Schlom, ZK Liu APL Materials 8 (8), 2020 | 71 | 2020 |
| Design of an additively manufactured functionally graded material of 316 stainless steel and Ti-6Al-4V with Ni-20Cr, Cr, and V intermediate compositions LD Bobbio, B Bocklund, E Simsek, RT Ott, MJ Kramer, ZK Liu, AM Beese Additive Manufacturing 51, 102649, 2022 | 70 | 2022 |
| Quantified uncertainty in thermodynamic modeling for materials design NH Paulson, BJ Bocklund, RA Otis, ZK Liu, M Stan Acta Materialia 174, 9-15, 2019 | 68 | 2019 |
| Analysis of formation and growth of the σ phase in additively manufactured functionally graded materials LD Bobbio, B Bocklund, A Reichardt, R Otis, JP Borgonia, RP Dillon, ... Journal of Alloys and Compounds 814, 151729, 2020 | 47 | 2020 |
| DFTTK: Density Functional Theory ToolKit for high-throughput lattice dynamics calculations Y Wang, M Liao, BJ Bocklund, P Gao, SL Shang, H Kim, AM Beese, ... Calphad 75, 102355, 2021 | 42 | 2021 |
| Experimental analysis and thermodynamic calculations of an additively manufactured functionally graded material of V to Invar 36 LD Bobbio, B Bocklund, R Otis, JP Borgonia, RP Dillon, AA Shapiro, ... Journal of Materials Research 33 (11), 1642-1649, 2018 | 34 | 2018 |
| Thermodynamic properties of the Nd-Bi system via emf measurements, DFT calculations, machine learning, and CALPHAD modeling S Im, SL Shang, ND Smith, AM Krajewski, T Lichtenstein, H Sun, ... Acta Materialia 223, 117448, 2022 | 32 | 2022 |
| Tensile behavior of stainless steel 304L to Ni-20Cr functionally graded material: experimental characterization and computational simulations LD Bobbio, B Bocklund, ZK Liu, AM Beese Materialia 18, 101151, 2021 | 31 | 2021 |
| A comparative study of predicting high entropy alloy phase fractions with traditional machine learning and deep neural networks S Liu, B Bocklund, J Diffenderfer, S Chaganti, B Kailkhura, SK McCall, ... npj Computational Materials 10 (1), 172, 2024 | 30 | 2024 |
| Thermodynamic modeling of the Al-Co-Cr-Fe-Ni high entropy alloys supported by key experiments M Ostrowska, P Riani, B Bocklund, ZK Liu, G Cacciamani Journal of Alloys and Compounds 897, 162722, 2022 | 23 | 2022 |
| Thermodynamic re-assessment of pure chromium using modified segmented regression model A Obaied, B Bocklund, S Zomorodpoosh, L Zhang, R Otis, ZK Liu, ... Calphad 69, 101762, 2020 | 21 | 2020 |
| Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part I: design principles and rapid down-selection KLM Elder, J Berry, B Bocklund, SK McCall, A Perron, JT McKeown npj Computational Materials 9 (1), 84, 2023 | 19 | 2023 |
| Statistical approach for automated weighting of datasets: Application to heat capacity data S Zomorodpoosh, B Bocklund, A Obaied, R Otis, ZK Liu, I Roslyakova Calphad 71, 101994, 2020 | 16 | 2020 |
| Sensitivity estimation for calculated phase equilibria R Otis, B Bocklund, ZK Liu Journal of Materials Research, 1-11, 2020 | 16 | 2020 |
