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Benjamin Aaron Helfrecht
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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
2812019
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
512020
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
402019
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
352020
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
302021
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
272020
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
142014
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
132019
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
132018
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
112017
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, 2023
52023
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
42022
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
12022
Structure-Property Relationships in Complex Materials by Combining Supervised and Unsupervised Machine Learning
BA Helfrecht
EPFL, 2021
12021
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
12020
Erratum: Interactions between copper and transition metal dichalcogenides: A density functional theory study [Phys. Rev. Materials 1, 034001 (2017)]
BA Helfrecht, DM Guzman, N Onofrio, AH Strachan
Physical Review Materials 3 (10), 109903, 2019
12019
Complexation of heavy metal cations with imidazolium ionic liquids lowers their reduction energy: implications for electrochemical separations
S Tan, D Zhang, Y Chen, BA Helfrecht, ET Baxter, W Cao, XB Wang, ...
Green Chemistry 26 (3), 1566-1576, 2024
2024
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
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