Journal Article (16)
2023
Journal Article
25, 083040 (2023)
Homogeneous electron liquid in arbitrary dimensions beyond the random phase approximation. New Journal of Physics
Journal Article
107 (4), L041406 (2023)
Ab initio vacancy formation energies and kinetics at metal surfaces under high electric field. Physical Review B
Journal Article
11 (15), pp. 5251 - 5261 (2023)
Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddings. Biomaterials Science
Journal Article
14, 5121 (2023)
Data-mining unveils structure-property-activity correlation of viral infectivity enhancing self-assembling peptides. Nature Communications
Journal Article
9, 37 (2023)
An Artificial Neural Network for Surrogate Modeling of Stress Fields in Viscoplastic Polycrystalline Materials. npj Computational Materials
Journal Article
130 (23), 236301 (2023)
Anharmonicity in Thermal Insulators: An Analysis from First Principles. Physical Review Letters
Journal Article
24 (4), pp. 1 - 22 (2023)
Efficient Structure-preserving Support Tensor Train Machine. Journal of Machine Learning Research
Journal Article
171, 103776 (2023)
Inverse design of dual-phase steel microstructures using generative machine learning model and Bayesian optimization. International Journal of Plasticity
Journal Article
9, 179 (2023)
Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy. npj Computational Materials
Journal Article
14 (1), 7410 (2023)
Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography. Nature Communications
Journal Article
35 (9), 2209100 (2023)
Observation of Multi-Directional Energy Transfer in a Hybrid Plasmonic–Excitonic Nanostructure. Advanced Materials
Journal Article
159 (11), 114110 (2023)
Recent advances in the SISSO method and their implementation in the SISSO++ Code. The Journal of Chemical Physics
Journal Article
234, 115542 (2023)
Direct recognition of crystal structures via three-dimensional convolutional neural networks with high accuracy and tolerance to random displacements and missing atoms. Scripta Materialia
Journal Article
29 (5), pp. 1658 - 1670 (2023)
A Machine Learning Framework for Quantifying Chemical Segregation and Microstructural Features in Atom Probe Tomography Data. Microscopy and Microanalysis
Journal Article
8 (90), 5388 (2023)
NOMAD: A distributed web-based platform for managing materials science research data. The Journal of Open Source Software (JOSS)
Journal Article
3 (1), pp. 101 - 114 (2023)
A machine learning route between band mapping and band structure. Nature Computational Science Conference Paper (1)
2023
Conference Paper
Beyond the Fourth Paradigm — the Rise of AI. In: 2023 IEEE 19th International Conference on e-Science (e-Science). 2023 IEEE 19th International Conference on e-Science (e-Science), Limassol, Cyprus, October 09, 2023 - October 13, 2023. IEEE, New York City, US (2023)
Working Paper (1)
2023
Working Paper
CELL: a Python package for cluster expansion with a focus on complex alloys. Psi-k Network (2023)