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