GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ...
The Journal of Chemical Physics 160 (9), 2024
99 2024 Atomic scale characterization of fluxional cation behavior on nanoparticle surfaces: probing oxygen vacancy creation/annihilation at surface sites EL Lawrence, BDA Levin, T Boland, SLY Chang, PA Crozier
ACS nano 15 (2), 2624-2634, 2021
32 2021 Atomic-resolution mapping of localized phonon modes at grain boundaries B Haas, TM Boland, C Elsässer, AK Singh, K March, J Barthel, CT Koch, ...
Nano letters 23 (13), 5975-5980, 2023
17 2023 Computational synthesis of 2D materials: A high-throughput approach to materials design TM Boland, AK Singh
Computational Materials Science 207, 111238, 2022
16 2022 Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange ML Evans, J Bergsma, A Merkys, CW Andersen, OB Andersson, D Beltrán, ...
Digital Discovery 3 (8), 1509-1533, 2024
12 2024 Impact of Aliovalent Alkaline-Earth metal solutes on Ceria Grain Boundaries: A density functional theory study TM Boland, P Rez, PA Crozier, AK Singh
Acta Materialia 205, 116481, 2021
10 2021 Anomalous phase transition behavior in hydrothermal grown layered tellurene H Li, K Wu, S Yang, T Boland, B Chen, AK Singh, S Tongay
Nanoscale 11 (42), 20245-20251, 2019
6 2019 Identification of rapid oxygen exchange through site-dependent cationic displacements on CeO2 nanoparticles EL Lawrence, BDA Levin, TM Boland, SLY Chang, PA Crozier
Microscopy and Microanalysis 24 (S1), 54-55, 2018
6 2018 Localized phonon densities of states at grain boundaries in silicon P Rez, T Boland, C Elsässer, A Singh
Microscopy and Microanalysis 28 (3), 672-679, 2022
5 2022 Reconstructing lattice vibrations of crystals with electron ptychography A Gladyshev, B Haas, TM Boland, P Rez, CT Koch
arXiv preprint arXiv:2309.12017, 2023
1 2023 Atomic Level Strain Induced by Static and Dynamic Oxygen Vacancies on Reducible Oxide Surfaces P Haluai, TM Boland, EL Lawrence, PA Crozier
arXiv preprint arXiv:2210.01764, 2022
1 2022 Interpreting Cation Displacements and Image Motifs Associated with the Oxygen Exchange Reaction on CeO2 Nanoparticles T Boland, E Lawrence, BDA Levin, P Rez, PA Crozier
Microscopy and Microanalysis 24 (S1), 144-145, 2018
1 2018 Predicting the Electronic Structure of CeO2 Grain Boundaries for Comparison with Atomic Resolution EELS T Boland, P Crozier, P Rez
Microscopy and Microanalysis 23 (S1), 1556-1557, 2017
1 2017 Computational discovery of high-refractive-index van der Waals materials: The case of HfS X Zambrana-Puyalto, MK Svendsen, AH Søndersted, A Sarbajna, ...
arXiv preprint arXiv:2502.09144, 2025
2025 Fundamental Factors Governing Stabilization of Janus 2D-Bulk Heterostructures with Machine Learning TM Boland, R Gorelik, AK Singh
arXiv preprint arXiv:2502.04603, 2025
2025 GPAW: open Python package for electronic-structure calculations J Jørgen Mortensen, A Hjorth Larsen, M Kuisma, AV Ivanov, ...
arXiv e-prints, arXiv: 2310.14776, 2023
2023 Atomic Resolution Mapping of Localized Phonon Modes in Silicon Grain Boundaries B Haas, TM Boland, C Elsässer, AK Singh, K March, J Barthel, CT Koch, ...
Microscopy and Microanalysis 29 (Supplement_1), 618-619, 2023
2023 High-throughput Identification of Stable 2D Janus-Bulk Material Heterostructures A Singh, T Boland
Bulletin of the American Physical Society 67, 2022
2022 High-throughput Identification of Stable 2D Janus-Bulk Materials Heterostructures T Boland, A Singh
APS March Meeting Abstracts 2022, G47. 003, 2022
2022 Computational Design of Interfacial Properties for Materials Discovery TM Boland
Arizona State University, 2022
2022 