Pillar 3

Published datasets resulting from Pillar 3 "Digital Infrastructure of Open Simulations and Data".

10.24435/materialscloud:1p-1m — Effect of hydrogen on the local chemical bonding states and structure of amorphous alumina by atomistic and electrostatic modeling and first principles calculations of auger parameter shifts, by S. Gramatte, O. Politano, C. Cancellieri, I. Utke, L. Jeurgens, V. Turlo
Related MARVEL publication:
- S. Gramatte, X. Wang, M. A. H. Bertrán, C. Cancellieri, G. Pizzi, D. Prezzi, I. Timrov, O. Politano, I. Utke, L. P. H. Jeurgens, V. Turlo, Bridging classical and quantum interpretation of chemical state analysis by XPS/HAXPES to resolve short-range order in amorphous alumina films, arXiv:2408.08255 (2025). [Open Access URL]
  Group(s): Marzari, Pizzi, Turlo / Project(s): P1, P3, P4
10.24435/materialscloud:nr-hq — Accurate and efficient protocols for high-throughput first-principles materials simulations, by G. de Miranda Nascimento, F. José dos Santos, M. Bercx, G. Pizzi, N. Marzari
Related MARVEL publication:
- G. d. Miranda Nascimento, F. J. d. Santos, M. Bercx, D. Grassano, G. Pizzi, N. Marzari, Accurate and efficient protocols for high-throughput first-principles materials simulations, arXiv:2504.03962 (2025). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.5281/zenodo.15783260 — scicode-widgets: Supplementary code for figures, by A. Goscinski, T. J. Baird, D. Du, J. Prado, D. Suman, T. Sodjargal, S. Bonella, G. Pizzi, M. Ceriotti
Related MARVEL publication:
- A. Goscinski, T. J. Baird, D. Du, J. Prado, D. Suman, T. Sodjargal, S. Bonella, G. Pizzi, M. Ceriotti, scicode-widgets: Bringing Computational Experiments to the Classroom with Jupyter Widgets, arXiv:2507.05734 (2025). [Open Access URL]
  Group(s): Bonella, Ceriotti, Pizzi / Project(s): P2, P3
10.24435/materialscloud:jn-ac — MC3D: The Materials Cloud computational database of experimentally known stoichiometric inorganics, by S. Huber, M. Minotakis, M. Bercx, T. Reents, K. Eimre, N. Paulish, N. Hörmann, M. Uhrin, G. Pizzi, N. Marzari
Related MARVEL publication:
- S. P. Huber, M. Minotakis, M. Bercx, T. Reents, K. Eimre, N. Paulish, N. Hörmann, M. Uhrin, N. Marzari, G. Pizzi, MC3D: The Materials Cloud computational database of experimentally known stoichiometric inorganics, arXiv:2508.19223 (2025). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:e6-e4 — OCV intercalation workflow implemented across DFT and workflow engines, by S. Krarup Steensen, T. Singh Thakur, M. Dillenz, J. M. Carlsson, C. R. Caldeira Rego, E. Flores, H. Hajiyani, F. Hanke, J. M. G. Lastra, W. Wenzel, N. Marzari, T. Vegge, G. Pizzi, I. E. Castelli
Related MARVEL publication:
- S. K. Steensen, T. S. Thakur, M. Dillenz, J. M. Carlsson, C. R. C. Rêgo, E. Flores, H. Hajiyani, F. Hanke, J. M. G. Lastra, W. Wenzel, N. Marzari, T. Vegge, G. Pizzi, I. E. Castelli, The Interoperability Challenge in DFT Workflows Across Implementations, arXiv:2511.11524 (2025). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.5281/zenodo.15516180 — A Python workflow definition for computational materials design, by J. Janssen, J. George, J. Geiger, M. Bercx, X. Wang, C. Ertural, J. Schaarschmidt, A. Ganose, G. Pizzi, T. Hickel, J. Neugebauer
Related MARVEL publication:
- J. Janssen, J. George, J. Geiger, M. Bercx, X. Wang, C. Ertural, J. Schaarschmidt, A. M. Ganose, G. Pizzi, T. Hickel, J. Neugebauer, A python workflow definition for computational materials design, Digital Discovery 4, 3149–3161 (2025). [Open Access URL]
  Group(s): Pizzi / Project(s): P3
10.24435/materialscloud:yy-ds — Automated computational workflows for muon spin spectroscopy, by I. J. Onuorah, M. Bonacci, M. M. Isah, M. Mazzani, R. De Renzi, G. Pizzi, P. Bonfà
Related MARVEL publication:
- I. J. Onuorah, M. Bonacci, M. M. Isah, M. Mazzani, R. De Renzi, G. Pizzi, P. Bonfà, Automated computational workflows for muon spin spectroscopy, Digital Discovery 4, 523–538 (2025). [Open Access URL]
  Group(s): Pizzi / Project(s): P3, P4
10.24435/materialscloud:7g-x1 — Quantifying electronic and geometric effects on the activity of platinum catalysts for water-gas shift, by X. Wang, U. Aschauer, G. Pizzi
Related MARVEL publication:
- X. Li, X. Wang, A. Beck, M. Artsiusheuski, Q. Liu, Q. Liu, H. Eliasson, F. Krumeich, U. Aschauer, G. Pizzi, R. Erni, J. A. van Bokhoven, L. Artiglia, Quantifying electronic and geometric effects on the activity of platinum catalysts for water-gas shift, Nature Communications 16, 6641 (2025). [Open Access URL]
  Group(s): Pizzi, Aschauer / Project(s): P3, P4, DD5
10.24435/materialscloud:ck-br — Robust Wannierization including magnetization and spin-orbit coupling via projectability disentanglement, by Y. Jiang, J. Qiao, N. Paulish, W. Zhao, N. Marzari, G. Pizzi
Related MARVEL publication:
- Y. Jiang, J. Qiao, N. Paulish, W. Zhao, N. Marzari, G. Pizzi, Robust Wannierization including magnetization and spin-orbit coupling via projectability disentanglement, npj Computational Materials 11, 353 (2025). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:v2-60 — First-principles Hubbard parameters with automated and reproducible workflows, by L. Bastonero, C. Malica, E. Macke, M. Bercx, S. P. Huber, I. Timrov, N. Marzari
Related MARVEL publication:
- L. Bastonero, C. Malica, E. Macke, M. Bercx, S. Huber, I. Timrov, N. Marzari, First-principles Hubbard parameters with automated and reproducible workflows, npj Computational Materials 11, 183 (2025). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.5281/zenodo.17084313 — niklasschmitz/ad-dfpt, by N. F. Schmitz, B. Ploumhans, M. F. Herbst
Related MARVEL publication:
- N. F. Schmitz, B. Ploumhans, M. F. Herbst, Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters, npj Computational Materials 12, 6 (2026). [Open Access URL]
  Group(s): Herbst / Project(s): P3
10.5281/zenodo.14894065 — mfherbst/supporting-my-inversion: v0.1.0, by M. F. Herbst
Related MARVEL publication:
- M. F. Herbst, V. H. Bakkestuen, A. Laestadius, Kohn-Sham inversion with mathematical guarantees, Physical Review B 111, 205143 (2025). [Open Access URL]
  Group(s): Herbst / Project(s): P3
10.24435/materialscloud:da-za — Electrically driven first-order phase transition of a 2D ionic crystal at the electrode/electrolyte interface, by F. Angiolari, A. Coretti, M. Salanne, S. Bonella
Related MARVEL publication:
- F. Angiolari, A. Coretti, M. Salanne, S. Bonella, Electrically driven first-order phase transition of a 2D ionic crystal at the electrode/electrolyte interface, Proceedings of the National Academy of Science of the USA 122, e2520026122 (2025). [Open Access URL]
  Group(s): Bonella / Project(s): P3
10.24435/materialscloud:x2-ap — Charting the landscape of Bardeen-Cooper-Schrieffer superconductors in experimentally known compounds, by M. Bercx, S. Poncé, Y. Zhang, G. Trezza, A. Ghorbani Ghezeljehmeidan, L. Bastonero, J. Qiao, F. O. von Rohr, G. Pizzi, E. Chiavazzo, N. Marzari
Related MARVEL publication:
- M. Bercx, S. Poncé, Y. Zhang, G. Trezza, A. G. Ghezeljehmeidan, L. Bastonero, J. Qiao, F. O. von Rohr, G. Pizzi, E. Chiavazzo, N. Marzari, Charting the Landscape of Bardeen-Cooper-Schrieffer Superconductors in Experimentally Known Compounds, PRX Energy 4, 033012 (2025). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:ab-y2 — Massive Atomic Diversity: a compact universal dataset for atomistic machine learning, by A. Mazitov, S. Chorna, G. Fraux, M. Bercx, G. Pizzi, S. De, M. Ceriotti
Related MARVEL publication:
- A. Mazitov, S. Chorna, G. Fraux, M. Bercx, G. Pizzi, S. De, M. Ceriotti, Massive Atomic Diversity: a compact universal dataset for atomistic machine learning, Scientific Data 12, 1857 (2025). [Open Access URL]
  Group(s): Ceriotti, Pizzi / Project(s): P2, P3
10.24435/materialscloud:9w-bz — Mass-zero constrained molecular dynamics for electrostatic interactions, by F. Troni, D. Grassano, J. Narayan, B. Roux, S. Bonella
Related MARVEL publication:
- F. Troni, D. Grassano, J. Narayan, B. Roux, S. Bonella, Mass-zero constrained molecular dynamics for electrostatic interactions, The Journal of Chemical Physics 163, 214106 (2025). [Open Access URL]
  Group(s): Bonella / Project(s): P3

github.com/aiidalab/aiidalab-qe — AiiDAlab Quantum ESPRESSO application, by X. Wang, E. Bainglass, M. Bonacci, A. Ortega-Guerrero, M. Bercx, P. N. O. Gillespie, D. Hollas, T. Reents, C. J. Sewell, A. V. Yakutovich, J. Yu, G. Pizzi, S. Adorf, C. W. Andersen, and T. Olevski
Related MARVEL publication
- X. Wang, E. Bainglass, M. Bonacci, A. Ortega-Guerrero, L. Bastonero, M. Bercx, P. Bonfà, R. De Renzi, D. Du, P. N. O. Gillespie, M. A. Hernández-Bertrán, D. Hollas, S. P. Huber, E. Molinari, I. J. Onuorah, N. Paulish, D. Prezzi, J. Qiao, T. Reents, C. J. Sewell, I. Timrov, A. V. Yakutovich, J. Yu, N. Marzari, C. A. Pignedoli, G. Pizzi, Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app, npj Computational Materials 12, 72 (2026). [Open Access URL]
  Group(s): Marzari, Pignedoli, Pizzi / Project(s): P3, P4
github.com/aiidateam/aiida-quantumespresso — aiida-quantumespresso, by X. Wang, E. Bainglass, M. Bonacci, A. Ortega-Guerrero, M. Bercx, P. N. O. Gillespie, D. Hollas, T. Reents, C. J. Sewell, A. V. Yakutovich, J. Yu, G. Pizzi, S. Adorf, C. W. Andersen, and T. Olevski
Related MARVEL publication
- X. Wang, E. Bainglass, M. Bonacci, A. Ortega-Guerrero, L. Bastonero, M. Bercx, P. Bonfà, R. De Renzi, D. Du, P. N. O. Gillespie, M. A. Hernández-Bertrán, D. Hollas, S. P. Huber, E. Molinari, I. J. Onuorah, N. Paulish, D. Prezzi, J. Qiao, T. Reents, C. J. Sewell, I. Timrov, A. V. Yakutovich, J. Yu, N. Marzari, C. A. Pignedoli, G. Pizzi, Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app, npj Computational Materials 12, 72 (2026). [Open Access URL]
  Group(s): Marzari, Pignedoli, Pizzi / Project(s): P3, P4
github.com/aiidalab — AiiDAlab, by Aliaksandr V. Yakutovich and Jusong Yu and Daniel Hollas and Edan Bainglass and Corsin Battaglia and Miki Bonacci and Lucas Fernandez Vilanova and Stephan Henne and Anders Kaestner and Michel Kenzelmann and Graham Kimbell and Jakob Lass and Fabio Lopes and Daniel G. Mazzone and Andres Ortega-Guerrero and Xing Wang and Nicola Marzari and Carlo A. Pignedoli and Giovanni Pizzi
Related MARVEL publication:
- A. V. Yakutovich, J. Yu, D. Hollas, E. Bainglass, C. Battaglia, M. Bonacci, L. F. Vilanova, S. Henne, A. Kaestner, M. Kenzelmann, G. Kimbell, J. Lass, F. Lopes, D. G. Mazzone, A. Ortega-Guerrero, X. Wang, N. Marzari, C. A. Pignedoli, G. Pizzi, AiiDAlab: on the route to accelerate science, arXiv:2512.22173 (2025). [Open Access URL]
  Group(s): Marzari, Pignedoli, Pizzi / Project(s): P3, P4

10.24435/materialscloud:yy-ds — Automated computational workflows for muon spin spectroscopy, by I. J. Onuorah, M. Bonacci, M. M. Isah, M. Mazzani, R. De Renzi, G. Pizzi, P. Bonfà
Related MARVEL publication:
- I. J. Onuorah, M. Bonacci, M. M. Isah, M. Mazzani, R. De Renzi, G. Pizzi, P. Bonfà, Automated computational workflows for muon spin spectroscopy, Digital Discovery (2025). [Open Access URL]
  Group(s): Pizzi / Project(s): P3, P4
10.17632/7n2r2xh44k.1 — Jupyter widgets and extensions for education and research in computational physics and chemistry, by D. Du, T. J. Baird, K. Eimre, S. Bonella, G. Pizzi
Related MARVEL publication:
- D. Du, T. J. Baird, K. Eimre, S. Bonella, G. Pizzi, Jupyter widgets and extensions for education and research in computational physics and chemistry, Computer Physics Communications 305, 109353 (2024). [Open Access URL]
  Group(s): Bonella, Pizzi / Project(s): P3
10.24435/materialscloud:qt-1s — FINALES - Electrolyte optimization for maximum conductivity and for maximum cycle life, by S. K. Steensen, M. Vogler, F. F. Ramirez, L. Merker, J. Busk, J. M. Carlsson, L. H. Rieger, B. Zhang, F. Liot, G. Pizzi, F. Hanke, E. Flores, H. Hajiyani, S. Fuchs, A. Sanin, M. Gaberšček, I. E. Castelli, S. Clark, T. Vegge, A. Bhowmik, H. S. Stein
Related MARVEL publication:
- M. Vogler, S. K. Steensen, F. F. Ramírez, L. Merker, J. Busk, J. M. Carlsson, L. H. Rieger, B. Zhang, F. Liot, G. Pizzi, F. Hanke, E. Flores, H. Hajiyani, S. Fuchs, A. Sanin, M. Gaberšček, I. E. Castelli, S. Clark, T. Vegge, A. Bhowmik, H. S. Stein, Autonomous Battery Optimization by Deploying Distributed Experiments and Simulations, Advanced Energy Materials 14, 2403263 (2024). [Open Access URL]
  Group(s): Pizzi / Project(s): P3
10.5281/zenodo.10387647 — kefisher98/Multitask_GP: Multi-task methods for predicting molecular properties from heterogeneous data, by K. Fisher, M. Herbst, Y. Marzouk
Related MARVEL publication:
- K. E. Fisher, M. F. Herbst, Y. M. Marzouk, Multitask methods for predicting molecular properties from heterogeneous data, The Journal of Chemical Physics 161, 014114 (2024). [Open Access URL]
  Group(s): Herbst / Project(s): P3
10.24435/materialscloud:vx-ew — A bridge between trust and control: Computational workflows meet automated battery cycling, by P. Kraus, E. Bainglass, F. F. Ramirez, E. Svaluto-Ferro, L. Ercole, B. Kunz, S. P. Huber, N. Plainpan, N. Marzari, C. Battaglia, G. Pizzi
Related MARVEL publication:
- P. Kraus, E. Bainglass, F. F. Ramirez, E. Svaluto-Ferro, L. Ercole, B. Kunz, S. P. Huber, N. Plainpan, N. Marzari, C. Battaglia, G. Pizzi, A bridge between trust and control: computational workflows meet automated battery cycling, Journal of Materials Chemistry A 12, 10773–10783 (2024). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:ph-jb — FINALES (06/2022) – Electrolyte Optimization for Minimum Density and Maximum Viscosity, by M. Vogler, J. Busk, H. Hajiyani, P. B. Jørgensen, N. Safaei, I. E. Castelli, F. F. Ramirez, J. M. Carlsson, G. Pizzi, S. Clark, F. Hanke, A. Bhowmik, H. S. Stein
Related MARVEL publication:
- M. Vogler, J. Busk, H. Hajiyani, P. B. Jørgensen, N. Safaei, I. E. Castelli, F. F. Ramirez, J. Carlsson, G. Pizzi, S. Clark, F. Hanke, A. Bhowmik, H. S. Stein, Brokering between tenants for an international materials acceleration platform, Matter 6, 2647–2665 (2023). [Open Access URL]
  Group(s): Pizzi / Project(s): P3

10.24435/materialscloud:x0-yf — Projectability disentanglement for accurate and automated electronic-structure Hamiltonians, by J. Qiao, G. Pizzi, N. Marzari
Related MARVEL publication:
- J. Qiao, G. Pizzi, N. Marzari, Projectability disentanglement for accurate and automated electronic-structure Hamiltonians, npj Computational Materials 9, 208 (2023). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:2f-hs — Automated mixing of maximally localized Wannier functions into target manifolds, by J. Qiao, G. Pizzi, N. Marzari
Related MARVEL publication:
- J. Qiao, G. Pizzi, N. Marzari, Automated mixing of maximally localized Wannier functions into target manifolds, npj Computational Materials 9, 206 (2023). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:8s-qh — Magnetostriction-driven muon localisation in an antiferromagnetic oxide, by P. Bonfà, I. J. Onuorah, F. Lang, I. Timrov, L. Monacelli, C. Wang, X. Sun, O. Petracic, G. Pizzi, N. Marzari, S. J. Blundell, R. De Renzi
Related MARVEL publication:
- P. Bonfà, I. J. Onuorah, F. Lang, I. Timrov, L. Monacelli, C. Wang, X. Sun, O. Petracic, G. Pizzi, N. Marzari, S. J. Blundell, R. De Renzi, Magnetostriction-Driven Muon Localization in an Antiferromagnetic Oxide, Physical Review Letters 132, 046701 (2024). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:s4-3h — How to verify the precision of density-functional-theory implementations via reproducible and universal workflows, by E. Bosoni, L. Beal, M. Bercx, P. Blaha, S. Blügel, J. Bröder, M. Callsen, S. Cottenier, A. Degomme, V. Dikan, K. Eimre, E. Flage-Larsen, M. Fornari, A. Garcia, L. Genovese, M. Giantomassi, S. P. Huber, H. Janssen, G. Kastlunger, M. Krack, G. Kresse, T. D. Kühne, K. Lejaeghere, G. K. H. Madsen, M. Marsman, N. Marzari, G. Michalicek, H. Mirhosseini, T. M. A. Müller, G. Petretto, C. J. Pickard, S. Poncé, G. Rignanese, O. Rubel, T. Ruh, M. Sluydts, D. E. P. Vanpoucke, S. Vijay, M. Wolloch, D. Wortmann, A. V. Yakutovich, J. Yu, A. Zadoks, B. Zhu, G. Pizzi
Related MARVEL publication:
- E. Bosoni, L. Beal, M. Bercx, P. Blaha, S. Blügel, J. Bröder, M. Callsen, S. Cottenier, A. Degomme, V. Dikan, K. Eimre, E. Flage-Larsen, M. Fornari, A. Garcia, L. Genovese, M. Giantomassi, S. P. Huber, H. Janssen, G. Kastlunger, M. Krack, G. Kresse, T. D. Kühne, K. Lejaeghere, G. K. H. Madsen, M. Marsman, N. Marzari, G. Michalicek, H. Mirhosseini, T. M. A. Müller, G. Petretto, C. J. Pickard, S. Poncé, G. Rignanese, O. Rubel, T. Ruh, M. Sluydts, D. E. P. Vanpoucke, S. Vijay, M. Wolloch, D. Wortmann, A. V. Yakutovich, J. Yu, A. Zadoks, B. Zhu, G. Pizzi, How to verify the precision of density-functional-theory implementations via reproducible and universal workflows, Nature Reviews Physics 6, 45 (2024). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4
10.24435/materialscloud:6w-qh — Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows, by M. Bonacci, J. Qiao, N. Spallanzani, A. Marrazzo, G. Pizzi, E. Molinari, D. Varsano, A. Ferretti, D. Prezzi
Related MARVEL publication:
- M. Bonacci, J. Qiao, N. Spallanzani, A. Marrazzo, G. Pizzi, E. Molinari, D. Varsano, A. Ferretti, D. Prezzi, Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows, npj Computational Materials 9, 74 (2023). [Open Access URL]
  Group(s): Pizzi / Project(s): P3
10.24435/materialscloud:36-nd — The Materials Cloud 2D database (MC2D), by D. Campi, N. Mounet, M. Gibertini, G. Pizzi, N. Marzari
Related MARVEL publication:
- D. Campi, N. Mounet, M. Gibertini, G. Pizzi, N. Marzari, Expansion of the Materials Cloud 2D Database, ACS Nano17, 11268–11278 (2023). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4

10.17632/26py5zz9f8.1 — OSSCAR, an open platform for collaborative development of computational tools for education in science, by J. Ballantyne
Related MARVEL publication:
- D. Du, T. J. Baird, S. Bonella, G. Pizzi, OSSCAR, an Open Platform for Collaborative Development of Computational Tools for Education in Science, Computer Physics Communications 282, 108546 (2023). [Open Access URL]
  Group(s): Bonella, Pizzi / Project(s): P3
10.24435/materialscloud:9g-k6 — Thermodynamics and dielectric response of BaTiO₃ by data-driven modeling, by L. Gigli, M. Veit, M. Kotiuga, G. Pizzi, N. Marzari, M. Ceriotti
Related MARVEL publication:
- L. Gigli, M. Veit, M. Kotiuga, G. Pizzi, N. Marzari, M. Ceriotti, Thermodynamics and dielectric response of BaTiO₃ by data-driven modeling, npj Computational Materials 8, 209 (2022). [Open Access URL]
  Group(s): Ceriotti, Marzari, Pizzi / Project(s): P2, P3, P4
10.24435/materialscloud:jc-ky — A microscopic picture of paraelectric perovskites from structural prototypes, by M. Kotiuga, S. Halilov, B. Kozinsky, M. Fornari, N. Marzari, G. Pizzi
Related MARVEL publication:
- M. Kotiuga, S. Halilov, B. Kozinsky, M. Fornari, N. Marzari, G. Pizzi, Microscopic picture of paraelectric perovskites from structural prototypes, Physical Review Research 4, L012042 (2022). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4, OSP
10.24435/materialscloud:m4-7f — Machine-learning accelerated identification of exfoliable two-dimensional materials, by M. Tohidi Vahdat, K. Agrawal Varoon, G. Pizzi
Related MARVEL publication:
- M. T. Vahdat, K. V. Agrawal, G. Pizzi, Machine-learning accelerated identification of exfoliable two-dimensional materials, Machine Learning: Science and Technology 3, 045014 (2022). [Open Access URL]
  Group(s): Pizzi / Project(s): P3