How to analyse a density of states MY Toriyama, AM Ganose, M Dylla, S Anand, J Park, MK Brod, JM Munro, ... Materials Today Electronics 1, 100002, 2022 | 59 | 2022 |
Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO 3 D Akbarian, DE Yilmaz, Y Cao, P Ganesh, I Dabo, J Munro, ... Physical Chemistry Chemical Physics 21 (33), 18240-18249, 2019 | 56 | 2019 |
Triplet Transfer Mediates Triplet Pair Separation during Singlet Fission in 6, 13‐Bis (triisopropylsilylethynyl)‐Pentacene C Grieco, GS Doucette, JM Munro, ER Kennehan, Y Lee, A Rimshaw, ... Advanced Functional Materials 27 (46), 1703929, 2017 | 56 | 2017 |
Performance comparison of and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow R Kingsbury, AS Gupta, CJ Bartel, JM Munro, S Dwaraknath, M Horton, ... Physical Review Materials 6 (1), 013801, 2022 | 55 | 2022 |
High-throughput search for magnetic and topological order in transition metal oxides NC Frey, MK Horton, JM Munro, SM Griffin, KA Persson, VB Shenoy Science advances 6 (50), eabd1076, 2020 | 54 | 2020 |
An improved symmetry-based approach to reciprocal space path selection in band structure calculations JM Munro, K Latimer, MK Horton, S Dwaraknath, KA Persson npj Computational Materials 6 (1), 112, 2020 | 48 | 2020 |
Vibrational probe of the origin of singlet exciton fission in TIPS-pentacene solutions C Grieco, GS Doucette, KT Munson, JR Swartzfager, JM Munro, ... The Journal of chemical physics 151 (15), 2019 | 27 | 2019 |
Revealing the importance of energetic and entropic contributions to the driving force for charge photogeneration MP Aplan, JM Munro, Y Lee, AN Brigeman, C Grieco, Q Wang, ... ACS applied materials & interfaces 10 (46), 39933-39941, 2018 | 20 | 2018 |
Discovering minimum energy pathways via distortion symmetry groups JM Munro, H Akamatsu, H Padmanabhan, VS Liu, Y Shi, LQ Chen, ... Physical Review B 98 (8), 085107, 2018 | 19 | 2018 |
Conjugated block copolymers as model systems to examine mechanisms of charge generation in donor–acceptor materials MP Aplan, C Grieco, Y Lee, JM Munro, W Lee, JL Gray, ZD Seibers, ... Advanced Functional Materials 29 (1), 1804858, 2019 | 18 | 2019 |
A flexible and scalable scheme for mixing computed formation energies from different levels of theory RS Kingsbury, AS Rosen, AS Gupta, JM Munro, SP Ong, A Jain, ... npj Computational Materials 8 (1), 195, 2022 | 13 | 2022 |
A representation-independent electronic charge density database for crystalline materials JX Shen, JM Munro, MK Horton, P Huck, S Dwaraknath, KA Persson Scientific data 9 (1), 661, 2022 | 11 | 2022 |
Antisymmetry: fundamentals and applications H Padmanabhan, JM Munro, I Dabo, V Gopalan Annual Review of Materials Research 50, 255-281, 2020 | 10 | 2020 |
Tuning triplet-pair separation versus relaxation using a diamond anvil cell GS Doucette, HT Huang, JM Munro, KT Munson, C Park, JE Anthony, ... Cell Reports Physical Science 1 (1), 2020 | 8 | 2020 |
Spatio-temporal symmetry–crystallographic point groups with time translations and time inversion VS Liu, BK VanLeeuwen, JM Munro, H Padmanabhan, I Dabo, V Gopalan, ... Acta Crystallographica Section A: Foundations and Advances 74 (4), 399, 2018 | 6 | 2018 |
Spatio-temporal symmetry—point groups with time translations H Padmanabhan, ML Kingsland, JM Munro, DB Litvin, V Gopalan Symmetry 9 (9), 187, 2017 | 5 | 2017 |
An equivariant graph neural network for the elasticity tensors of all seven crystal systems M Wen, MK Horton, JM Munro, P Huck, KA Persson Digital Discovery 3 (5), 869-882, 2024 | 4* | 2024 |
A database of molecular properties integrated in the Materials Project EWC Spotte-Smith, OA Cohen, SM Blau, JM Munro, R Yang, RD Guha, ... Digital Discovery 2 (6), 1862-1882, 2023 | 4 | 2023 |
Implementation of distortion symmetry for the nudged elastic band method with DiSPy JM Munro, VS Liu, V Gopalan, I Dabo npj Computational Materials 5 (1), 52, 2019 | 3 | 2019 |
High-throughput optical absorption spectra for inorganic semiconductors RX Yang, MK Horton, J Munro, KA Persson arXiv preprint arXiv:2209.02918, 2022 | 2 | 2022 |