Researcher Portfolio
Huber, Liam
Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, Department of Chemistry, University College of the Fraser Valley, Abbotsford, BC V2S 7M8, Canada, Department of Physics and Astronomy, The University of British Columbia, 6224 Agricultural Rd., Vancouver, BC V6T 1Z1, Canada, Thermodynamics and Kinetics of Defects, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society
Researcher Profile
Position: Department of Physics and Astronomy, The University of British Columbia, 6224 Agricultural Rd., Vancouver, BC V6T 1Z1, Canada
Position: Department of Chemistry, University College of the Fraser Valley, Abbotsford, BC V2S 7M8, Canada
Position: Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society
Position: Thermodynamics and Kinetics of Defects, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society
Researcher ID: https://pure.mpg.de/cone/persons/resource/persons204880
Publications
(1 - 25 of 30)
: Dsouza, R., Huber, L., Swinburne, T. D., & Neugebauer, J. (2024). Sampling-free thermodynamics in bulk crystalline metals from the mean-field anharmonic bond model. Talk presented at The 11th International Conference on Multiscale Materials Modeling. Prague, Czech Republic. 2024-09-23. [PubMan] : Dsouza, R., Poul, M., Huber, L., Swinburne, T. D., & Neugebauer, J. (2024). Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model. Physical Review B, 109: 064108. doi:10.1103/PhysRevB.109.064108. [PubMan] : Li, Y., Wei, Y., Wang, Z., Liu, X., Colnaghi, T., Han, L., Rao, Z., Zhou, X., Huber, L., Dsouza, R., Gong, Y., Neugebauer, J., Marek, A., Rampp, M., Bauer, S., Li, H., Baker, I., Stephenson, L., & Gault, B. (2023). Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography. Nature Communications, 14(1): 7410. doi:10.1038/s41467-023-43314-y. [PubMan] : Gehringer, D., Huber, L., Neugebauer, J., & Holec, D. (2023). Segregation to α2/γ interfaces in TiAl alloys: A multiscale QM/MM study. Physical Review Materials, 7(6): 063604. doi:10.1103/PhysRevMaterials.7.063604. [PubMan] : Poul, M., Huber, L., Bitzek, E., & Neugebauer, J. (2023). Systematic atomic structure datasets for machine learning potentials: Application to defects in magnesium. Physical Review B, 107: 104103. doi:10.1103/PhysRevB.107.104103. [PubMan] : Neugebauer, J., Huber, L., Holec, D., Gehringer, D., & Hickel, T. (2022). Defect Phase Diagrams: Concepts, Computational Approaches and Materials Design Strategies. Talk presented at MMM10 Conference. Baltimore, MD, USA. 2022-09-07 - 2022-09-09. [PubMan] : Poul, M., Huber, L., Bitzek, E., & Neugebauer, J. (2022). Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. arXiv. doi:10.48550/arXiv.2207.04009. [PubMan] : Dsouza, R., Huber, L., Grabowski, B., & Neugebauer, J. (2022). Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping. Physical Review B, 105(18): 184111. doi:10.1103/PhysRevB.105.184111. [PubMan] : Bhuva, V., Dang, D.-C., Huber, L., & Sudholt, D. (2022). Evolutionary Algorithms for Cardinality-Constrained Ising Models. In G. Rudolph, A. V. Kononova, H. Aguirre, P. Kerschke, G. Ochoa, & T. Tušar (Eds. ), Parallel Problem Solving from Nature – PPSN XVII. PPSN 2022. Lecture Notes in Computer Science (pp. 456-469). doi:10.1007/978-3-031-14721-0_32. [PubMan] : Huber, L. (2021). Simulating the thermodynamics of GB phases. Talk presented at Seminar, Institut für Materialswissenschaft (MaWi), University of Stuttgart, delivered online. Stuttgart, Germany. 2021-02-08. [PubMan] : Huber, L., Dsouza, R., Poul, M., & Neugebauer, J. (2021). Defect Free Energies. Talk presented at Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) Seminar, delivered online. Bochum, Germany. 2021-01-19. [PubMan] : Korte-Kerzel, S., Hickel, T., Huber, L., Raabe, D., Sandlöbes, S., Todorova, M., & Neugebauer, J. (2021). Defect phases–thermodynamics and impact on material properties. International Materials Reviews, 66. doi:10.1080/09506608.2021.1930734. [PubMan] : Zhao, H., Gault, B., De Geuser, F., Huber, L., Lu, W., Peter, N. J., Ponge, D., & Raabe, D. (2020). Segregation and precipitation at grain boundaries in an Al-Zn-Mg-Cu alloy. Talk presented at Advanced Metallic Systems CDT seminar, virtual. Manchester, UK. 2020-12. [PubMan] : Zhao, H., Gault, B., De Geuser, F., Huber, L., Lu, W., Peter, N. J., Ponge, D., & Raabe, D. (2020). Segregation and precipitation at grain boundaries in an Al-Zn-Mg-Cu alloy. Talk presented at 17th International Conference on Aluminium Alloys ICAA 2020, virtual. Grenoble, France. 2020-10-26 - 2020-10-29. [PubMan] : Neugebauer, J., Lymperakis, L., Janßen, J., Huber, L., & Hickel, T. (2020). Modeling crystal growth and materials design in high dimensional chemical and structural configuration spaces. Talk presented at German Conference on Crystal Growth DKT 2020. München/Garching, Germany. 2020-03-11 - 2020-03-13. [PubMan] : Zhao, H., Huber, L., Lu, W., Peter, N. J., An, D., De Geuser, F., Dehm, G., Ponge, D., Neugebauer, J., Gault, B., & Raabe, D. (2020). Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy. Physical Review Letters, 124(10): 106102. doi:10.1103/PhysRevLett.124.106102. [PubMan] : Neugebauer, J., Janßen, J., Huber, L., Ikeda, Y., Körmann, F., Grabowski, B., Hickel, T., & Shapeev, A. (2020). Materials Design in High Dimensional Chemical and Structural Configuration Spaces. Talk presented at TMS 2020 Annual Meeting & Exhibition. San Diego, CA, USA. 2020-02-23 - 2020-02-27. [PubMan] : Zhao, H., Huber, L., Lu, W., Peter, N. J., An, D., De Geuser, F., Dehm, G., Ponge, D., Neugebauer, J., Gault, B., Ponge, D., & Raabe, D. (2020). Interplay of chemistry and faceting at grain boundaries in a model Al-alloy. Talk presented at TMS Annual Meeting & Exhibition. San Diego, CA, USA. 2020-02-23 - 2020-02-27. [PubMan] : Neugebauer, J., Janßen, J., Huber, L., Körmann, F., Hickel, T., & Grabowski, B. (2019). Construction and exploitation of large ab initio data spaces to design materials with superior mechanical properties. Talk presented at MRS-J: Materials Research Meeting 2019. Yokohama, Japan. 2019-12-10 - 2019-12-14. [PubMan] : Neugebauer, J., Huber, L., Körmann, F., Grabowski, B., & Hickel, T. (2019). Ab initio input for multiphysics models: Accuracy, performance and challenges. Talk presented at ISAM4: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics. Erlangen, Germany. 2019-08-05 - 2019-08-08. [PubMan] : Huber, L., Hadian, R., Grabowski, B., & Neugebauer, J. (2019). Computing and modelling solute-grain boundary interaction. Talk presented at Canadian Materials Science Conference. Vancouver, Canada. 2019-06-10 - 2019-06-13. [PubMan] : Guénolé, J., Mouhib, F.-Z., Huber, L., Grabowski, B., & Korte-Kerzel, S. (2019). Basal slip in laves phases: The synchroshear dislocation. Scripta Materialia, 166, 134-138. doi:10.1016/j.scriptamat.2019.03.016. [PubMan] : Huber, L., Hadian, R., Grabowski, B., & Neugebauer, J. (2018). A machine learning approach to model solute grain boundary segregation. npj Computational Materials, 4(1): 64. doi:10.1038/s41524-018-0122-7. [PubMan] : Huber, L. (2018). High-throughput calculations and modelling of solute-GB segregation. Talk presented at Thermec 2018 Conference. Paris, France. 2018-07-08 - 2018-07-13. [PubMan] : Huber, L., Grabowski, B., Militzer, M., Neugebauer, J., & Rottler, J. (2017). Ab initio modelling of solute segregation energies to a general grain boundary. Acta Materialia, 132, 138-148. doi:10.1016/j.actamat.2017.04.024. [PubMan]