| i-PI 2.0: A universal force engine for advanced molecular simulations V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ... Computer Physics Communications 236, 214-223, 2019 | 253 | 2019 |
| Opportunities and challenges of 2D materials in back-end-of-line interconnect scaling CL Lo, BA Helfrecht, Y He, DM Guzman, N Onofrio, S Zhang, D Weinstein, ... Journal of Applied Physics 128 (8), 2020 | 41 | 2020 |
| A new kind of atlas of zeolite building blocks BA Helfrecht, R Semino, G Pireddu, SM Auerbach, M Ceriotti The Journal of Chemical Physics 151 (15), 2019 | 38 | 2019 |
| Structure-property maps with Kernel principal covariates regression BA Helfrecht, RK Cersonsky, G Fraux, M Ceriotti Machine Learning: Science and Technology 1 (4), 045021, 2020 | 35 | 2020 |
| Improving sample and feature selection with principal covariates regression RK Cersonsky, BA Helfrecht, EA Engel, S Kliavinek, M Ceriotti Machine Learning: Science and Technology 2 (3), 035038, 2021 | 29 | 2021 |
| Bi aliovalent substitution in Li7La3Zr2O12 garnets: Structural and ionic conductivity effects DK Schwanz, A Villa, M Balasubramanian, B Helfrecht, EE Marinero Aip Advances 10 (3), 2020 | 22 | 2020 |
| Atomic motif recognition in (bio) polymers: Benchmarks from the protein data bank BA Helfrecht, P Gasparotto, F Giberti, M Ceriotti Frontiers in molecular biosciences 6, 24, 2019 | 14 | 2019 |
| Fracture-healing kinetics of thermoreversible physical gels quantified by shear rheophysical experiments TL Thornell, BA Helfrecht, SA Mullen, A Bawiskar, KA Erk ACS Macro Letters 3 (10), 1069-1073, 2014 | 14 | 2014 |
| ZnO-based Schottky and oxide multilayer devices for visibly transparent photovoltaic applications EA Azhar, W Ye, B Helfrecht, G Chen, L Thompson, H Yu, S Dey IEEE Transactions on Electron Devices 65 (8), 3291-3299, 2018 | 12 | 2018 |
| Interactions between copper and transition metal dichalcogenides: A density functional theory study BA Helfrecht, DM Guzman, N Onofrio, AH Strachan Physical Review Materials 1 (3), 034001, 2017 | 11 | 2017 |
| scikit-matter: A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science A Goscinski, VP Principe, G Fraux, S Kliavinek, BA Helfrecht, P Loche, ... Open Research Europe 3, 81, 2023 | 2 | 2023 |
| Ranking the synthesizability of hypothetical zeolites with the sorting hat BA Helfrecht, G Pireddu, R Semino, SM Auerbach, M Ceriotti Digital Discovery 1 (6), 779-789, 2022 | 2 | 2022 |
| Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts MT Nguyen, BA Helfrecht, R Rousseau, VA Glezakou Journal of Molecular Liquids 365, 120115, 2022 | 1 | 2022 |
| Empirical Modeling of Photoenhanced Current–Voltage Hysteresis in PEDOT: PSS/ZnO Thin-Film Devices EA Azhar, WM Cheung, M Tuttle, B Helfrecht, D Bull, H Yu Journal of Electronic Materials 49, 3130-3139, 2020 | 1 | 2020 |
| Machine Learning for Prediction of Thermodynamic Descriptors ES Wiedner, BA Helfrecht, JD Erickson, NM Washton Pacific Northwest National Laboratory (PNNL), Richland, WA (United States), 2023 | | 2023 |
| 1; peer review: awaiting peer review A Goscinski, VP Principe, G Fraux, S Kliavinek, BA Helfrecht, P Loche, ... | | 2023 |
| Digital Discovery BA Helfrecht | | 2022 |
| Improving Data Sub-Selection for Supervised Tasks with Principal Covariates Regression R Cersonsky, B Helfrecht, S Kliavinek, EA Engel, M Ceriotti 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Structure-Property Relationships in Complex Materials by Combining Supervised and Unsupervised Machine Learning BA Helfrecht EPFL, 2021 | | 2021 |
| Enhanced Machine Learning Models for Structure-Property Mapping with Principal Covariates Regression R Cersonsky, B Helfrecht, G Fraux, E Engel, M Ceriotti APS March Meeting Abstracts 2021, A60. 009, 2021 | | 2021 |
Michele CeriottiAssociate Professor at EPFL, Institute of MaterialsVerified email at epfl.ch
