Publications

Citation info on [Google Scholar]

Pre-prints

54. S. Gathmann, C. Bartel, L. Grabow, O. Abdelrahman, C. Frisbie, P. Dauenhauer, Dynamic promotion of the oxygen evolution reaction via programmable metal oxides, Under review, 2024 [ChemRxiv link]

53. Y. Cheng, Y. Fujii, Y. Nomata, M. Mazumder, N. Rosero-Navarro, A. Yamashita, Y. Mizuguchi, C. Moriyoshi, T. Mitsudome, K. Tadanga, A. Miura, C. Bartel, Synthesis, electronic structure, and redox chemistry of Li2MnP2S6, a candidate high-voltage cathode material, Under review, 2024 [ChemRxiv link]

52. K. Noordhoek, C. Bartel, Accelerating the prediction of inorganic surfaces with machine learning interatomic potentials, Under review, 2024 [arXiv link]

51. S. Adhikari, C. Bartel, C. Sutton, Interpretable machine learning to understand the performance of semilocal density functionals for materials thermochemistry, Under review, 2024 [arXiv link]

2024

50. M. Murphy, S. Gathmann, C. Bartel, O. Abdelrahman, P. Dauenhauer, Catalytic resonance theory: circumfluence of programmable catalytic loops, Journal of Catalysis, 2024  [link]

49. Y. Zeng, N. Szymanski, T. He, K. Jun, L. Callington, H. Hun, C. Bartel, B. Ouyang, G. Ceder, Selective formation of metastable polymorphs in solid-state synthesis, Science Advances, 2024, 10(3) [link]

48. K. Cruse, V. Baibakova, M. Abdelsamie, K. Hong, C. Bartel, A. Trewartha, A. Jain, C. Sutter-Fella, G. Ceder, Text mining the literature to inform experiments and rationalize impurity phase formation for BiFeO3, Chemistry of Materials, 2024, 36(2) 772-785 [link]

2023

47. G. Tran, A. Wustrow, D. O'Nolan, S. Tao, C. Bartel, T. He, M. McDermott, B. McBride, K. Chapman, S. Billinge, K. Persson, G. Ceder, J. Neilson, Selective synthesis of defect-rich LaMnO3 by low-temperature anion cometathesis, Inorganic Chemistry, 2023 [link]

46. M. Abdelsamie, K. Hong, K. Cruse, C. Bartel, V. Baibakova, A. Trewartha, A. Jain, G. Ceder, C. Sutter-Fella, Combining text mining, in situ characterization, and ab initio calculations to rationalize BiFeO3 crystallization pathways, Matter, 2023, 6(12), 4291-4305 [link]

45. N. Szymanski, B. Rendy, Y. Fei, R. Kumar, T. He, D. Milsted, M. Mcdermott, M. Gallant, E. Cubuk, A. Merchant, H. Kim, A. Jain, C. Bartel, K. Persson, Y. Zeng, G. Ceder, An autonomous laboratory for the accelerated synthesis of novel materials, Nature, 2023, 624, 86-91 [link]

44. M. McDermott, B. McBride, C. Regier, G. Tran, Y. Chen, A. Corrao, M. Gallant, G. Kamm, C. Bartel, K. Chapman, P. Khalifah, G. Ceder, J. Neilson, K. Persson, Assessing thermodynamic selectivity of solid-state reactions for the predictive synthesis of inorganic materials, ACS Central Science, 2023, 9(10), 1957-1975 [link] (code)

43. N. Szymanski, P. Nevatia, C. Bartel, Y. Zeng, G. Ceder, Autonomous and dynamic precursor selection for solid-state materials synthesis, Nature Communications, 2023, 14, 6956 [link] (code)

42. B. Deng, P. Zhong, K. Jun, K. Han, C. Bartel, G. Ceder, CHGNet: Pretrained universal neural network potential for charge-informed atomistic modeling, Nature Machine Intelligence, 2023, 5, 1031-1041 [link] (code)

41. S. Nair, K. Noordhoek, D. Lee, C. Bartel, B. Jalan, Solid-source metal-organic MBE for elemental Ir and Ru films, Journal of Vacuum Science & Technology A, 2023, 41(6): 062701 [link]

40. N. Szymanski, Z. Lun, J. Liu, E. Self, C. Bartel, J. Nanda, B. Ouyang, G. Ceder, Modeling short-range order in disordered rocksalt cathodes by pair distribution function analysis, Chemistry of Materials, 2023, 35, 13, 4922-4934 [link]

39. T. He, H. Huo, C. Bartel, Z. Wang, K. Cruse, G. Ceder, Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature, Science Advances, 2023, 9, 23, eadg8180 [link] (code)

38. N. Szymanski, C. Bartel, Y. Zeng, M. Diallo, H. Kim, G. Ceder, Adaptively driven X-ray diffraction guided by machine learning for autonomous phase identification, npj Computational Materials, 2023, 9 (1), 31 [link] (code)

37. M. Cosby, C. Bartel, A. Corrao, A. Yakovenko, L. Gallington, G. Ceder, P. Khalifah, Thermodynamic and kinetic barriers limiting solid state reactions resolved through in situ synchrotron studies of lithium halide salts, Chemistry of Materials, 2023, 35, 3, 917-926 [link]

36. L. Blanc, Y. Choi, A. Shyamsunder, B. Key, S. Lapidus, C. Li, L. Yin, B. Gwalani, Y. Xiao, C. Bartel, G. Ceder, L. Nazar, Phase stability and kinetics of topotactic dual Ca-Na ion electrochemistry in NASICON NaV2(PO4)3Chemistry of Materials, 2023, 35, 2, 468-481 [link]

35. M. Kothakonda, A. Kaplan, E. Isaacs, C. Bartel, J. Furness, J. Ning, C. Wolverton, J. Perdew, J. Sun, Testing the r2SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction, ACS Materials Au, 2023, 3, 2, 102-111 [link]

2022

34. H. Huo, C. Bartel, T. He, A. Trewartha, A. Dunn, B. Ouyang, A. Jain, G. Ceder, Machine-learning rationalization and prediction of solid-state synthesis conditions, Chemistry of Materials, 2022, 34 (16), 7323-7336 [link] (code)

33. N. Szymanski, Y. Zeng, T. Bennett, S. Patil, J. Keum, E. Self, J. Bai, Z. Cai, R. Giovone, B. Ouyang, F. Wang, C. Bartel, R. Clement, W. Tong, J. Nanda, G. Ceder, Understanding the fluorination of disordered rocksalt cathodes through rational exploration of synthesis pathways, Chemistry of Materials, 2022, 34 (15), 7015-7028 [link]

32. R. Sherbondy, R. Smaha, C. Bartel, M. Holtz, K. Talley, B. Levy-Wendt, C. Perkins, S. Eley, A. Zakutayev, G. Brennecka, High-throughput selection and experimental realization of two new Ce-based nitride perovskites: CeMoN3 and CeWN3Chemistry of Materials, 2022, 34 (15), 6883-6893 [link]

31. C. Bartel, Review of computational approaches to predict the thermodynamic stability of inorganic solids, Journal of Materials Science, 2022, 57:10475-10498 [link]

30. R. O'Toole, C. Hill, P. Buur, C. Bartel, C. Gump, C. Musgrave, A. Weimer, Hydrolysis protection and sintering of aluminum nitride powders with yttria nanofilms, Journal of the American Ceramic Society, 2022, 105, 5, 3123-3127 [link]

29. B.J. Kwon, L. Yin, C. Bartel, K. Kumar, P. Parajuli, J. Gim, S. Kim, R. Klie, S. Lapidus, B. Key, G. Ceder, J. Cabana, Intercalation of Ca into a highly defective oxide at room temperature, Chemistry of Materials, 2022, 34, 2, 836-846 [link]

28. R. Kingsbury, A. Gupta, C. Bartel, J. Munro, S. Dwaraknath, M. Horton, K. Persson,
Performance comparison of r2SCAN and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow, Physical Review Materials, 2022, 6, 013801 [link]

27. Y. Chen, C. Bartel, M. Avdeev, Y. Zhang, P. Zhong, G. Zeng, Z. Cai, H. Kim, H. Ji, G. Ceder, Solid-state Ca ion diffusion in Ca1.5Ba0.5Si5O3N6, Chemistry of Materials, 2022, 34, 1, 128-139 [link]

26. J. Hancock, K. Griffith, Y. Choi, C. Bartel, S. Lapidus, J. Vaughey, G. Ceder, K. Poeppelmeier, Expanding the ambient-pressure phase space of CaFe2O4-type sodium post spinel host-guest compounds, ACS Organic and Inorganic Au, 2022, 2, 1, 8-22 [link]

2021

25. H. Park, C. Bartel, G. Ceder, P. Zapol, Layered transition metal oxides as Ca intercalation cathodes: a systematic first-principles evaluation, Advanced Energy Materials, 2021, 11, 48, 2101698 [link]

24. B. Ouyang, J. Wang, T. He, C. Bartel, H. Huo, Y. Wang, V. Lacivita, H. Kim, G. Ceder, Synthetic accessibility and stability rules of NASICONs, Nature Communications, 2021, 12, 5752 [link]

23. L. Blanc, C. Bartel, Ha. Kim, Y. Tian, Hy. Kim, A. Miura, G. Ceder, L. Nazar, Toward the development of a high-voltage Mg cathode using a chromium sulfide host, ACS Materials Letters, 2021, 3, 1213-1220 [link]

22. L. Yin, B. Kwon, Y. Choi, C. Bartel, M. Yang, C. Liao, B. Key, G. Ceder, S. Lapidus, Operando X-ray diffraction studies of the Mg-ion migration mechanisms in spinel cathodes for rechargeable Mg-ion batteries, Journal of the American Chemical Society, 2021, 143, 28, 10649-10658 [link]

21. N. Szymanski, Y. Zeng, H. Huo, C. Bartel, H. Kim, G. Ceder, Toward autonomous design and synthesis of novel inorganic materials, Materials Horizons, 2021, 8, 2169-2198 [link]

20. N. Szymanski, C. Bartel, Y. Zeng, Q. Tu, G. Ceder, Probabilistic deep learning approach to automate the interpretation of multi-phase diffraction spectra, Chemistry of Materials, 2021, 33, 11, 4204-4215 [link] (code)

19. A. Miura, C. Bartel, Y. Goto, Y. Mizuguchi, C. Moriyoshi, Y. Kuroiwa, Y. Wang, T. Yaguchi, M. Shirai, M. Nagao, N. Rosero-Navarro, K. Tadanaga, G. Ceder, W. Sun, Observing and modeling the sequential pairwise reactions that drive solid-state ceramic synthesis, Advanced Materials, 2021, 33, 24, 2100312 [link

2020

18. J. Koettgen, C. Bartel, J. Shen, K. Persson, G. Ceder, First-principles study of CaB12H12 as a potential solid-state conductor for Ca, Physical Chemistry Chemical Physics, 2020, 22 (47), 27600-27604 [link]

17. C. Bartel, A. Trewartha, Q. Wang, A. Dunn, A. Jain, G. Ceder, A critical examination of compound stability predictions from machine-learned formation energies, npj Computational Materials, 2020, 6, 97 [link] (code)

16. N. Singstock, C. Bartel, A. Holder, C. Musgrave, High-throughput analysis of materials for chemical looping processes, Advanced Energy Materials, 2020, 14, 2000685 [link]

15. A. Miura, H. Ito, C. Bartel, W. Sun, N. Rosero Navarro, K. Tadanaga, H. Nakata, K. Maeda, G. Ceder, Selective metathesis synthesis of MgCr2S4 by control of thermodynamic driving forces, Materials Horizons, 2020, 7, 1310-1316 [link]

14. C. Bartel, J. Clary, C. Sutton, D. Vigil-Fowler, B. Goldsmith, A. Holder, C. Musgrave, Inorganic halide double perovskites with optoelectronic properties modulated by sublattice mixing, Journal of the American Chemical Society, 2020, 142, 11, 5135-5145 [link] (correction)

13. J. Koettgen, C. Bartel, G. Ceder, Computational investigation of chalcogenide spinel conductors for all-solid-state Mg batteries, Chemical Communications, 2020, 56, 1952-1955 [link]

2019

12. E. Rognerud, C. Rom, P. Todd, N. Singstock, C. Bartel, A. Holder, J. Neilson, Kinetically controlled low-temperature solid-state metathesis of manganese nitride Mn3N2, Chemistry of Materials, 2019, 31, 18, 7248-7254 [link]

11. W. Sun, C. Bartel, E. Arca, S. Bauers, B. Matthews, B. Orvananos, J. Tate, W. Tumas, A. Zakutayev, S. Lany, A. Holder, G. Ceder, A map of the inorganic ternary metal nitrides, Nature Materials, 2019, 18, 732-739 [link]

10. C. Bartel, J. Rumptz, A. Weimer, A. Holder, C. Musgrave, High-throughput equilibrium analysis of active materials for solar thermochemical ammonia synthesis, ACS Applied Materials & Interfaces, 2019, 11, 28, 24850-24858 [link]

9. A. Palumbo, C. Bartel, J. Sorli, A. Weimer, Characterization of products derived from the high temperature flash pyrolysis of microalgae and rice hulls, Chemical Engineering Science, 2019, 196, 527-537 [link]

8. C. Bartel, C. Sutton, B. Goldsmith, R. Ouyang, C. Musgrave, L. Ghiringhelli, M. Scheffler, New tolerance factor to predict the stability of perovskite oxides and halides, Science Advances, 2019, 5, eaav0693 [link] (code)

7. C. Bartel, A. Weimer, S. Lany, C. Musgrave, A. Holder, The role of decomposition reactions in assessing first-principles predictions of solid stability, npj Computational Materials, 2019, 5 (1), 4 [link]

6. R. O'Toole, C. Bartel, M. Kodas, A. Horrell, S. Ricote, N. Sullivan, C. Gump, C. Musgrave, A. Weimer, Particle atomic layer deposition of alumina for sintering yttria-stabilized cubic zirconia, Journal of the American Ceramic Society, 2019, 102 (5) 2283-2293 [link]

2018

5. C. Bartel, S. Millican, A. Deml, J. Rumptz, W. Tumas, A. Weimer, S. Lany, V. Stevanovic, C. Musgrave, A. Holder, Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry, Nature Communications, 2018, 9, 4168 [link] (code)

4. B. Goldsmith, J. Esterhuizen, J. Liu, C. Bartel, C. Sutton, Machine learning for heterogeneous catalyst design and discovery, AIChE Journal, 2018, 64 (7), 2311-2323 [link]

3. E. Arca, S. Lany, J. Perkins, C. Bartel, J. Mangum, W. Sun, A. Holder, G. Ceder, B. Gorman, G. Teeter, W. Tumas, A. Zakutayev, Redox-mediated stabilization of zinc molybdenum nitride, Journal of the American Chemical Society, 2018, 140 (12), 4293-4301 [link]

2. S. Zhang, E. Yu., S. Gates, W. Cassata, J. Makel, A. Thron, C. Bartel, A. Weimer, R. Faller, P. Stroeve, J. Tringe, Helium interactions with alumina formed by atomic layer deposition show potential for mitigating problems with excess helium in spent nuclear fuel, Journal of Nuclear Materials, 2018, 499, 301-311 [link]

2016

1. C. Bartel, C. Muhich, A. Weimer, C. Musgrave, Aluminum nitride hydrolysis enabled by hydroxyl-mediated surface proton hopping, ACS Applied Materials & Interfaces, 2016, 8 (28), 18550-18559 [link]