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Jason M. Munro
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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
562022
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
562019
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
562017
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
522022
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
492020
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
432020
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
272019
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
202018
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
192018
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
182019
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
122022
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
102022
Antisymmetry: fundamentals and applications
H Padmanabhan, JM Munro, I Dabo, V Gopalan
Annual Review of Materials Research 50, 255-281, 2020
102020
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
82020
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
62018
Spatio-temporal symmetry—point groups with time translations
H Padmanabhan, ML Kingsland, JM Munro, DB Litvin, V Gopalan
Symmetry 9 (9), 187, 2017
52017
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
32019
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
22023
High-throughput optical absorption spectra for inorganic semiconductors
RX Yang, MK Horton, J Munro, KA Persson
arXiv preprint arXiv:2209.02918, 2022
22022
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, 2024
1*2024
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Articles 1–20