PyOD: A Python Toolbox for Scalable Outlier Detection Y Zhao, Z Nasrullah, Y Almardeny, AP Camargo, A Vasylenko, Z Li Journal of Machine Learning Research 20, 1-7, 2019 | 958 | 2019 |
Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated Inside Ultranarrow, Single-Walled Carbon Nanotubes PVC Medeiros, S Marks, JM Wynn, A Vasylenko, QM Ramasse, D Quigley, ... ACS nano 11 (6), 6178-6185, 2017 | 81 | 2017 |
Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry A Vasylenko, J Gamon, BB Duff, VV Gusev, LM Daniels, M Zanella, ... Nature communications 12 (1), 5561, 2021 | 58 | 2021 |
Electronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes A Vasylenko, S Marks, JM Wynn, PVC Medeiros, QM Ramasse, AJ Morris, ... ACS nano 12 (6), 6023-6031, 2018 | 53 | 2018 |
Experimental and theoretical studies on the mechanism for chemical oxidation of multiwalled carbon nanotubes BM Maciejewska, M Jasiurkowska-Delaporte, AI Vasylenko, KK Kozioł, ... RSC advances 4 (55), 28826-28831, 2014 | 44 | 2014 |
Tailoring of the electronic properties of ZnO-polyacrylonitrile nanofibers: Experiment and theory I Iatsunskyi, A Vasylenko, R Viter, M Kempiński, G Nowaczyk, S Jurga, ... Applied Surface Science 411, 494-501, 2017 | 40 | 2017 |
Linear and helical cesium iodide atomic chains in ultranarrow single-walled carbon nanotubes: Impact on optical properties RJ Kashtiban, MG Burdanova, A Vasylenko, J Wynn, PVC Medeiros, ... ACS nano 15 (8), 13389-13398, 2021 | 29 | 2021 |
Encapsulated Nanowires: Boosting Electronic Transport in Carbon Nanotubes A Vasylenko, J Wynn, PVC Medeiros, AJ Morris, J Sloan, D Quigley Physical Review B 95 (121408 (R)), 2017 | 24 | 2017 |
High-entropy transition metal nitride thin films alloyed with Al: Microstructure, phase composition and mechanical properties AV Pshyk, A Vasylenko, B Bakhit, L Hultman, P Schweizer, TEJ Edwards, ... Materials & Design 219, 110798, 2022 | 23 | 2022 |
Li4.3AlS3.3Cl0.7: A Sulfide–Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity J Gamon, MS Dyer, BB Duff, A Vasylenko, LM Daniels, M Zanella, ... Chemistry of Materials 33 (22), 8733-8744, 2021 | 23 | 2021 |
Effect of a vacancy in single-walled carbon nanotubes on He and NO adsorption AI Vasylenko, MV Tokarchuk, S Jurga The Journal of Physical Chemistry C 119 (9), 5113-5116, 2015 | 22 | 2015 |
A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning CJ Hargreaves, MW Gaultois, LM Daniels, EJ Watts, VA Kurlin, M Moran, ... npj Computational Materials 9 (1), 9, 2023 | 21 | 2023 |
Extended condensed ultraphosphate frameworks with monovalent ions combine lithium mobility with high computed electrochemical stability G Han, A Vasylenko, AR Neale, BB Duff, R Chen, MS Dyer, Y Dang, ... Journal of the American Chemical Society 143 (43), 18216-18232, 2021 | 17 | 2021 |
Superionic lithium transport via multiple coordination environments defined by two-anion packing G Han, A Vasylenko, LM Daniels, CM Collins, L Corti, R Chen, H Niu, ... Science 383 (6684), 739-745, 2024 | 14 | 2024 |
Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches JM Wynn, PVC Medeiros, A Vasylenko, J Sloan, D Quigley, AJ Morris Physical Review Materials 1 (7), 073001, 2017 | 13 | 2017 |
Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties A Vasylenko, D Antypov, VV Gusev, MW Gaultois, MS Dyer, ... npj Computational Materials 9 (1), 164, 2023 | 7 | 2023 |
Statistical description of hydrodynamic processes in ionic melts while taking into account polarization effects B Markiv, A Vasylenko, M Tokarchuk The Journal of Chemical Physics 136 (23), 2012 | 5 | 2012 |
Ordered Oxygen Vacancies in the Lithium-Rich Oxide Li4CuSbO5.5, a Triclinic Structure Type Derived from the Cubic Rocksalt Structure AJ Perez, A Vasylenko, TW Surta, H Niu, LM Daniels, LJ Hardwick, ... Inorganic Chemistry 60 (24), 19022-19034, 2021 | 4 | 2021 |
Inferring energy–composition relationships with Bayesian optimization enhances exploration of inorganic materials A Vasylenko, BM Asher, CM Collins, MW Gaultois, GR Darling, MS Dyer, ... The Journal of Chemical Physics 160 (5), 2024 | 2* | 2024 |
Statistically derived proxy potentials accelerate geometry optimization of crystal structures D Antypov, CM Collins, A Vasylenko, VV Gusev, MW Gaultois, GR Darling, ... ChemPhysChem, e202400254, 2024 | 1 | 2024 |