New tolerance factor to predict the stability of perovskite oxides and halides CJ Bartel, C Sutton, BR Goldsmith, R Ouyang, CB Musgrave, ... Science advances 5 (2), eaav0693, 2019 | 1304 | 2019 |
Machine learning for heterogeneous catalyst design and discovery BR Goldsmith, J Esterhuizen, JX Liu, CJ Bartel, C Sutton John Wiley & Sons, 2018 | 373 | 2018 |
Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length. T Körzdörfer, JS Sears, C Sutton, JL Brédas The Journal of chemical physics 135 (20), 204107, 2011 | 287 | 2011 |
Noncovalent intermolecular interactions in organic electronic materials: implications for the molecular packing vs electronic properties of acenes C Sutton, C Risko, JL Bredas Chemistry of Materials 28 (1), 3-16, 2016 | 269 | 2016 |
Rubrene-based single-crystal organic semiconductors: synthesis, electronic structure, and charge-transport properties KA McGarry, W Xie, C Sutton, C Risko, Y Wu, VG Young Jr, JL Brédas, ... Chemistry of Materials 25 (11), 2254-2263, 2013 | 187 | 2013 |
A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 155 | 2023 |
Identifying domains of applicability of machine learning models for materials science C Sutton, M Boley, LM Ghiringhelli, M Rupp, J Vreeken, M Scheffler Nature communications 11 (1), 4428, 2020 | 143 | 2020 |
Understanding the density functional dependence of DFT-calculated electronic couplings in organic semiconductors C Sutton, JS Sears, V Coropceanu, JL Bredas The Journal of Physical Chemistry Letters 4 (6), 919-924, 2013 | 89 | 2013 |
Inorganic halide double perovskites with optoelectronic properties modulated by sublattice mixing CJ Bartel, JM Clary, C Sutton, D Vigil-Fowler, BR Goldsmith, AM Holder, ... Journal of the American Chemical Society 142 (11), 5135-5145, 2020 | 88 | 2020 |
Vibration-assisted crystallization improves organic/dielectric interface in organic thin-film transistors. PJ Diemer, CR Lyle, Y Mei, C Sutton, MM Payne, JE Anthony, ... Advanced materials (Deerfield Beach, Fla.) 25 (48), 6956-6962, 2013 | 88 | 2013 |
Singlet fission in rubrene derivatives: impact of molecular packing C Sutton, NR Tummala, D Beljonne, JL Brédas Chemistry of Materials 29 (7), 2777-2787, 2017 | 76 | 2017 |
Effective Mass Calculator for Semiconductors A Fonari, C Sutton | 74* | 2015 |
Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition C Sutton, LM Ghiringhelli, T Yamamoto, Y Lysogorskiy, L Blumenthal, ... npj Computational Materials 5 (1), 111, 2019 | 69* | 2019 |
Rubrene: The interplay between intramolecular and intermolecular interactions determines the planarization of its tetracene core in the solid state C Sutton, MS Marshall, CD Sherrill, C Risko, JL Bredas Journal of the American Chemical Society 137 (27), 8775-8782, 2015 | 68 | 2015 |
First-principles atomistic thermodynamics and configurational entropy C Sutton, SV Levchenko Frontiers in Chemistry 8, 757, 2020 | 60 | 2020 |
Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence L Foppa, C Sutton, LM Ghiringhelli, S De, P Löser, SA Schunk, ... ACS catalysis 12 (4), 2223-2232, 2022 | 40 | 2022 |
Accurate description of torsion potentials in conjugated polymers using density functionals with reduced self-interaction error C Sutton, T Körzdörfer, MT Gray, M Brunsfeld, RM Parrish, CD Sherrill, ... The Journal of Chemical Physics 140 (5), 2014 | 40 | 2014 |
Effect of Solvent Additives on the Solution Aggregation of Phenyl-C61–Butyl Acid Methyl Ester (PCBM) NR Tummala, C Sutton, SG Aziz, MF Toney, C Risko, JL Bredas Chemistry of Materials 27 (24), 8261-8272, 2015 | 37 | 2015 |
Machine Learning Guided Synthesis of Multinary Chevrel Phase Chalcogenides CBM Nicholas R. Singstock, Jessica C. Ortiz-Rodríguez, Joseph T. Perryman ... Journal of the American Chemical Society, 2021 | 36 | 2021 |
Electronic Structure of Nickel (II) and Zinc (II) Borohydrides from Spectroscopic Measurements and Computational Modeling PJ Desrochers, CA Sutton, ML Abrams, S Ye, F Neese, J Telser, ... Inorganic Chemistry, 2012 | 32 | 2012 |