Agility Plus

Related publications (until January 2024)

• D. Santos-Cottin, I. Mohelský, J. Wyzula, F. Le Mardelé, I. Kapon, S. Nasrallah, N. Barišić, I. Živković, J. R. Soh, F. Guo, K. Rigaux, M. Puppin, J. H. Dil, B. Gudac, Z. Rukelj, M. Novak, A. B. Kuzmenko, C. C. Homes, T. Dietl, M. Orlita, A. Akrap, EuCd_2As_2: A Magnetic Semiconductor, Physical Review Letters 131, 186704 (2023). [Open Access URL]
  Group(s): Akrap / Project(s): DD6
• M. Thurlemann, S. Riniker, Energy-based clustering: Fast and robust clustering of data with known likelihood functions, The Journal of Chemical Physics 159, 024105 (2023). [Open Access URL]
  Dataset on GitHub.
  Group(s): Riniker / Project(s): DD1
• F. Le Mardelé, J. Wyzula, I. Mohelsky, S. Nasrallah, M. Loh, S. Ben David, O. Toledano, D. Tolj, M. Novak, G. Eguchi, S. Paschen, N. Barišić, J. Chen, A. Kimura, M. Orlita, Z. Rukelj, A. Akrap, D. Santos-Cottin, Evidence for three-dimensional Dirac conical bands in TlBiSSe by optical and magneto-optical spectroscopy, Physical Review B 107, L241101 (2023).[Open Access URL]
  Group(s): Akrap / Project(s): DD6
• M. Hadjimichael, B. Mundet, C. Dominguez, A. Waelchli, G. De Luca, J. Spring, S. Jöhr, S. M. Walker, C. Piamonteze, D. T. L. Alexander, J. Triscone, M. Gibert, Competition between Carrier Injection and Structural Distortions in Electron-Doped Perovskite Nickelate Thin Films, Advanced Electronic Materials 9, 2201182 (2023). [Open Access URL]
  Dataset on yareta.
  Group(s): Gibert / Project(s): DD5
• M. Thuerlemann, L. Boselt, S. Riniker, Regularized by Physics: Graph Neural Network Parametrized Potentials for the Description of Intermolecular Interactions, Journal of Chemical Theory and Computation 19, 562–579 (2023). [Open Access URL]
  Dataset on ETHZ Research Collection.
  Group(s): Riniker / Project(s): DD1
• I. Mohelsky, J. Wyzula, B. A. Piot, G. D. Gu, Q. Li, A. Akrap, M. Orlita, Temperature dependence of the energy band gap in ZrTe_5: Implications for the topological phase, Physical Review B 107, L041202 (2023). [Open Access URL]
  Group(s): Akrap / Project(s): DD6

• D. Hua, J. Huang, E. Fabbri, M. Rafique, B. Song, Development of Anion Exchange Membrane Water Electrolysis and the Associated Challenges: A Review, ChemElectroChem 10, e202200999 (2023). [Open Access URL]
  Group(s): Fabbri / Project(s): DD4
• J. Wyzula, I. Mohelský, D. Václavková, P. Kapuscinski, M. Veis, C. Faugeras, M. Potemski, M. E. Zhitomirsky, M. Orlita, High-Angular Momentum Excitations in Collinear Antiferromagnet FePS_3, Nano Letters 22, 9741 (2022). [Open Access URL]
  Group(s): Akrap / Project(s): DD6
• M. Thürlemann, L. Böselt, S. Riniker, Regularized by Physics: Graph Neural Network Parametrized Potentials for the Description of Intermolecular Interactions, arXiv:2206.00355 (2022). [Open Access URL]
  Dataset on ETHZ Research Collection.
  Group(s): Riniker / Project(s): DD1
• M. Thürlemann, L. Böselt, S. Riniker, Learning Atomic Multipoles: Prediction of the Electrostatic Potential with Equivariant Graph Neural Networks, Journal of Chemical Theory and Computation 18, 1701 (2022). [Open Access URL]
  Dataset on ETHZ Research Collection.
  Group(s): Riniker / Project(s): DD1
• G. De Luca, J. Spring, M. Kaviani, S. Jöhr, M. Campanini, A. Zakharova, C. Guillemard, J. Herrero-Martin, R. Erni, C. Piamonteze, M. D. Rossell, U. Aschauer, M. Gibert, Top-Layer Engineering Reshapes Charge Transfer at Polar Oxide Interfaces, Advanced Materials 34, 2203071 (2022). [Open Access URL]
  Group(s): Gibert / Project(s): DD5
• I. I. Mohelsky, J. Wyzula, B. Piot, G. Gu, Q. Li, A. Akrap, M. Orlita, Temperature dependence of the energy band gap in ZrTe_5: implications for the topological phase, arXiv:2211.14597, to be published in Physical Review B (2022). [Open Access URL]
  Group(s): Akrap / Project(s): DD6
• L. Böselt, M. Thürlemann, S. Riniker, Machine Learning in QM/MM Molecular Dynamics Simulations of Condensed-Phase Systems, Journal of Chemical Theory and Computation 17, 2641 (2021). [Open Access URL]
  Dataset on ETHZ Research Collection.
  Group(s): Riniker / Project(s): DD1
• B. Kim, E. Fabbri, M. Borlaf, D. F. Abbott, I. E. Castelli, M. Nachtegaal, T. Graule, T. J. Schmidt, Oxygen evolution reaction activity and underlying mechanism of perovskite electrocatalysts at different pH, Materials Advances 2, 345–355 (2021). [Open Access URL]
  Group(s): Fabbri, Schmidt / Project(s): PP7
• J. Linke, T. Rohrbach, M. Ranocchiari, T. J. Schmidt, E. Fabbri, Enlightening the journey of metal-organic framework (derived) catalysts during the oxygen evolution reaction in alkaline media via operando X-ray absorption spectroscopy, Current Opinion in Electrochemistry 30, 100845 (2021). [Open Access URL]
  Group(s): Fabbri, Ranocchiari / Project(s): DD4
• E. Martino, C. Putzke, M. König, P. J. W. Moll, H. Berger, D. LeBoeuf, M. Leroux, C. Proust, A. Akrap, H. Kirmse, C. Koch, S. Zhang, Q. Wu, O. V. Yazyev, L. Forró, K. Semeniuk, Unidirectional Kondo scattering in layered NbS_2, npj 2D Materials and Applications 5, 86 (2021). [Open Access URL]
  Dataset on Materials Cloud.
  Group(s): Akrap, Yazyev / Project(s): DD6
• K. Čerņevičs, O. V. Yazyev, M. Pizzochero, Electronic transport across quantum dots in graphene nanoribbons: Toward built-in gap-tunable metal-semiconductor-metal heterojunctions, Physical Review B 102, 201406 (2020). [Open Access URL]
  Dataset on Materials Cloud.
  Group(s): Yazyev, Akrap / Project(s): DD6
• B. Salzmann, A. Pulkkinen, B. Hildebrand, T. Jaouen, S. N. Zhang, E. Martino, Q. Li, G. Gu, H. Berger, O. V. Yazyev, A. Akrap, C. Monney, Nature of native atomic defects in ZrTe_5 and their impact on the low-energy electronic structure, Physical Review Materials 4, 114201 (2020). [Open Access URL]
  Group(s): Yazyev, Akrap / Project(s): DD6