Citation info on [Google Scholar]


56. M. Murphy, K. Noordhoek, S. Gathmann, P. Dauenhauer, C. Bartel, Catalytic resonance theory: forecasting the flow of programmable catalytic loops, Under review, 2024 [ChemRxiv link]

55. 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]


54. N. Szymanski, Y. Byeon, Y. Sun, Y. Zeng, J. Bai, M. Kunz, D. Kim, B. Helms, C. Bartel, H. Kim, G. Ceder, Quantifying the regime of thermodynamic control for solid-state reactions during ternary metal oxide synthesis, Science Advances, 2024, 10 (27) [link 

53. N. Szymanski, C. Bartel, Computationally guided synthesis of battery materials, ACS Energy Letters, 2024, 9, 2902-2911 [link]

52. S. Gathmann, C. Bartel, L. Grabow, O. Abdelrahman, C. Frisbie, P. Dauenhauer, Dynamic promotion of the oxygen evolution reaction via programmable metal oxides, ACS Energy Letters, 2024, 9 (5), 2013-2023 [link]

51. K. Noordhoek, C. Bartel, Accelerating the prediction of inorganic surfaces with machine learning interatomic potentials, Nanoscale, 2024, 16, 6365-6382 [link]

50. M. Murphy, S. Gathmann, C. Bartel, O. Abdelrahman, P. Dauenhauer, Catalytic resonance theory: circumfluence of programmable catalytic loops, Journal of Catalysis, 2024, 430, 115343 [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), eadj5431 [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]

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, 2024, 63, 7, 3250-3257 [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]


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]


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


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]


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]


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]


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]