| A differentiable neural-network force field for ionic liquids H Montes-Campos, J Carrete, S Bichelmaier, LM Varela, GKH Madsen Journal of chemical information and modeling 62 (1), 88-101, 2021 | 42 | 2021 |
| Neural-network-backed evolutionary search for SrTiO 3 (110) surface reconstructions R Wanzenböck, M Arrigoni, S Bichelmaier, F Buchner, J Carrete, ... Digital Discovery 1 (5), 703-710, 2022 | 19 | 2022 |
| Thermal and oxidation stability of TixW1− x diffusion barriers investigated by soft and hard x-ray photoelectron spectroscopy C Kalha, S Bichelmaier, NK Fernando, JV Berens, PK Thakur, TL Lee, ... Journal of Applied Physics 129 (19), 2021 | 12 | 2021 |
| Effects of nitridation on SiC/SiO2 structures studied by hard X-ray photoelectron spectroscopy J Berens, S Bichelmaier, NK Fernando, PK Thakur, TL Lee, M Mascheck, ... Journal of Physics: Energy 2 (3), 035001, 2020 | 12 | 2020 |
| Accurate First‐Principles Treatment of the High‐Temperature Cubic Phase of Hafnia S Bichelmaier, J Carrete, M Nelhiebel, GKH Madsen physica status solidi (RRL)–Rapid Research Letters 16 (10), 2100642, 2022 | 6 | 2022 |
| Evaluating the efficiency of power‐series expansions as model potentials for finite‐temperature atomistic calculations S Bichelmaier, J Carrete, GKH Madsen International Journal of Quantum Chemistry 123 (11), e27095, 2023 | 4 | 2023 |
| Light-driven dynamical tuning of the thermal conductivity in ferroelectrics C Cazorla, S Bichelmaier, C Escorihuela-Sayalero, J Íñiguez, J Carrete, ... Nanoscale 16 (17), 8335-8344, 2024 | 3 | 2024 |
| Neural-network-backed effective harmonic potential study of the ambient pressure phases of hafnia S Bichelmaier, J Carrete, R Wanzenböck, F Buchner, GKH Madsen Physical Review B 107 (18), 184111, 2023 | 3 | 2023 |
| Neural-network-enabled molecular dynamics study of HfO2 phase transitions S Bichelmaier, J Carrete, GKH Madsen arXiv preprint arXiv:2408.02429, 2024 | | 2024 |
| Calculations of the thermal conductivity of KNbO3 from first-principles C Cazorla, S Bichelmaier, C Escorihuela Sayalero, J Íñiguez, J Carrete, ... Cazorla, Claudio; Bichelmaier, Sebastian; Escorihuela Sayalero, Carlos …, 2023 | | 2023 |
| Ab-initio modelling of material properties using elements of artificial intelligence S Bichelmaier Technische Universität Wien, 2023 | | 2023 |
| Combining effective harmonic potentials and a neural-network force field for the high-temperature HfO2 phase diagram GKH Madsen, S Bichelmaier, J Carrete Montana # PLACEHOLDER_PARENT_METADATA_VALUE#, 92-93, 2022 | | 2022 |
| Efficient parametrizations of potential energy surfaces in Python S Bichelmaier | | 2022 |
| Study of HfO₂ Phases Using Machine Learning Potentials S Bichelmaier, J Carrete Montana, GKH Madsen | | 2022 |
| Thermal and oxidation stability of Ti C Kalha, S Bichelmaier, NK Fernando, JV Berens, PK Thakur, TL Lee, ... | | 2021 |
| Ab Initio und experimentelle Untersuchungen von Titan-Wolfram Diffusionsbarrieren: von Sebastian Bichelmaier S Bichelmaier Wien, 2019 | | 2019 |
| This journal is© The Royal Society of Chemistry 2022 R Wanzenböck, M Arrigoni, S Bichelmaier, F Buchner, J Carrete, ... | | |
