ASM

Published datasets resulting from ASM "Advanced Simulation Methods".

10.24435/materialscloud:nx-g8 — Strongly correlated physics in organic open-shell quantum systems, by G. Gandus, A. Jayaraj, D. Passerone, R. Stadler, M. Luisier, A. Valli
Related MARVEL publication:
- G. Gandus, A. Jayaraj, D. Passerone, R. Stadler, M. Luisier, A. Valli, Strongly correlated physics in organic open-shell quantum systems, arXiv:2301.00282 (2023). [Open Access URL]
  Group(s): Luisier, Passerone / Project(s): ASM
10.24435/materialscloud:zd-55 — Electronic properties of on-surface synthesized (4,1,4) chiral graphene nanoribbons, by O. Deniz, C. Sanchez-Sanchez, Q. Chen, P. Shinde, C. A. Pignedoli, J. Liu, X. Feng, A. Narita, K. Müllen, R. Fasel, D. Passerone, P. Ruffieux
Related MARVEL publication:
- O. Deniz, C. Sánchez-Sánchez, Q. Chen, P. Shinde, C. A. Pignedoli, J. Liu, X. Feng, A. Narita, K. Müllen, R. Fasel, D. Passerone, P. Ruffieux, Electronic properties of on-surface synthesized (4,1,4) chiral graphene nanoribbons, Carbon 243, 120610 (2025). [Open Access URL]
  Group(s): Passerone, Pignedoli / Project(s): P4, ASM
10.24435/materialscloud:q7-hf — Mobility calculation in disordered WS2-Al2O3 stacks from first principles, by D. Mauro, V. T. Benoit, D. Fabian, C. Jiang, A. Aryan, P. Geoffrey, L. Mathieu
Related MARVEL publication:
- M. Dossena, B. Van Troeye, F. Ducry, J. Cao, A. Afzalian, G. Pourtois, M. Luisier, Mobility calculation in disordered WS₂-Al₂O₃ stacks from first principles, npj 2D Materials and Applications 9, 67 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.3929/ethz-b-000731746 — Data amp; Plots for the work on "Ab initio Simulation of Spin-Charge Qubits based on Bilayer Graphene-WSe2 Quantum Dots", by C. Jiang
Related MARVEL publication:
- H. Ge, P. Koopmann, F. Mrcarica, O. T. P. Schmidt, I. Bouquet, M. Dossena, M. Luisier, J. Cao, Ab initio simulation of spin-charge qubits based on bilayer graphene-WSe₂ quantum dots, npj 2D Materials and Applications 9, 47 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.24435/materialscloud:9p-tz — Ab initio functional-independent calculations of the clamped Pockels tensor of tetragonal barium titanate, by V. de Mestral, L. Bastonero, M. Kotiuga, M. Mladenovic, N. Marzari, M. Luisier
Related MARVEL publication:
- V. de Mestral, L. Bastonero, M. Kotiuga, M. Mladenović, N. Marzari, M. Luisier, Ab initio functional-independent calculations of the clamped Pockels tensor of tetragonal barium titanate, Physical Review B 111, 184306 (2025).[Open Access URL]
  Group(s): Luisier, Marzari / Project(s): ASM, P4
10.5281/zenodo.17223898 — Spin-stripes in the Hubbard model: a combined DMFT and Bethe-Salpeter analysis: raw data and scripts, by R. Mushkaev
Related MARVEL publication:
- R. Mushkaev, F. Petocchi, S. Hoshino, P. Werner, Spin-stripes in the Hubbard model: a combined DMFT and Bethe-Salpeter analysis, Physical Review B 112, 245165 (2025). [Open Access URL]
  Group(s): Werner / Project(s): ASM
10.3929/ethz-b-000731087 — Electron-Electron Interactions in Device Simulation via Non-equilibrium Green’s Functions and the GW Approximation, by L. Deuschle, J. Cao, A. N. Ziogas, A. Winka, A. Maeder, N. Vetsch, M. Luisier
Related MARVEL publication:
- L. Deuschle, J. Cao, A. N. Ziogas, A. Winka, A. Maeder, N. Vetsch, M. Luisier, Electron-electron interactions in device simulation via nonequilibrium Green's functions and the GW approximation, Physical Review B 111, 195421 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.5281/zenodo.15862350 — Quatrex SC25 AE-specific scripts, by A. N. Ziogas, N. Vetsch, A. Maeder
Related MARVEL publication:
- N. Vetsch, A. Maeder, V. Maillou, A. Winka, J. Cao, G. Kwasniewski, L. Deuschle, T. Hoefler, A. N. Ziogas, M. Luisier, Ab-initio Quantum Transport with the GW Approximation, 42,240 Atoms, and Sustained Exascale Performance, 1–13 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.5281/zenodo.15296979 — vincent-maillou/qttools: SC25-AD-AE, by alexnick83, V. MAILLOU, N. Vetsch
Related MARVEL publication:
- N. Vetsch, A. Maeder, V. Maillou, A. Winka, J. Cao, G. Kwasniewski, L. Deuschle, T. Hoefler, A. N. Ziogas, M. Luisier, Ab-initio Quantum Transport with the GW Approximation, 42,240 Atoms, and Sustained Exascale Performance, 1–13 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.5281/zenodo.15297057 — vincent-maillou/quatrex: SC25-AD, by V. MAILLOU
Related MARVEL publication:
- N. Vetsch, A. Maeder, V. Maillou, A. Winka, J. Cao, G. Kwasniewski, L. Deuschle, T. Hoefler, A. N. Ziogas, M. Luisier, Ab-initio Quantum Transport with the GW Approximation, 42,240 Atoms, and Sustained Exascale Performance, 1–13 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.5281/zenodo.15862482 — Quatrex SC25 AD: Simulation Inputs and Configuration Files, by A. N. Ziogas, N. Vetsch, A. Maeder
Related MARVEL publication:
- N. Vetsch, A. Maeder, V. Maillou, A. Winka, J. Cao, G. Kwasniewski, L. Deuschle, T. Hoefler, A. N. Ziogas, M. Luisier, Ab-initio Quantum Transport with the GW Approximation, 42,240 Atoms, and Sustained Exascale Performance, 1–13 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.5281/zenodo.15282520 — SC25 Artifact Description: Weak Scaling Measurements and Plotting Scripts, by N. Vetsch
Related MARVEL publication:
- N. Vetsch, A. Maeder, V. Maillou, A. Winka, J. Cao, G. Kwasniewski, L. Deuschle, T. Hoefler, A. N. Ziogas, M. Luisier, Ab-initio Quantum Transport with the GW Approximation, 42,240 Atoms, and Sustained Exascale Performance, 1–13 (2025). [Open Access URL]
  Group(s): Luisier / Project(s): ASM

10.24435/materialscloud:sm-90 — Influence of carrier-carrier interactions on the sub-threshold swing of band-to-band tunnelling transistors, by C. H. Xia, L. Deuschle, J. Cao, A. Maeder, M. Luisier
Related MARVEL publication:
- C. H. Xia, L. Deuschle, J. Cao, A. Maeder, M. Luisier, Influence of Carrier–Carrier Interactions on the Sub-Threshold Swing of Band-to-Band Tunnelling Transistors, IEEE Electron Device Letters 45, 1504–1507 (2024). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.3929/ethz-b-000651780 — Phonon-Limited Transport in 2D Materials: A Unified Approach for ab initio Mobility and Current Calculations, by J. Backman, Y. Lee, M. Luisier
Related MARVEL publication:
- J. Backman, Y. Lee, M. Luisier, Phonon-limited transport in two-dimensional materials: A unified approach for ab initio mobility and current calculations, Physical Review Applied 21, 054017 (2024). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.5281/zenodo.10974355 — GW - SC'24 Artifact - Logs and Scripts, by A. N. Ziogas
Related MARVEL publication:
- L. Deuschle, A. Maeder, V. Maillou, N. Vetsch, A. Winka, J. Cao, A. N. Ziogas, M. Luisier, Towards Exascale Simulations of Nanoelectronic Devices in the GW Approximation, 988–1003 (2024). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.17617/3.pilcpq — Controllable orbital angular momentum monopoles in chiral topological semimetals, by Y. Yen, J. Krieger, M. Yao, I. Robredo, K. Manna, Q. Yang, E. C. McFarlane, C. Shekhar, H. Borrmann, S. Stolz, O. Gröning, V. N. Strocov, S. Parkin, C. Felser, M. Garcia Vergniory, M. Schüler, N. Schröter
Related MARVEL publication:
- Y. Yen, J. A. Krieger, M. Yao, I. Robredo, K. Manna, Q. Yang, E. C. McFarlane, C. Shekhar, H. Borrmann, S. Stolz, R. Widmer, O. Gröning, V. N. Strocov, S. S. P. Parkin, C. Felser, M. G. Vergniory, M. Schüler, N. B. M. Schröter, Controllable orbital angular momentum monopoles in chiral topological semimetals, Nature Physics 20, 1912 (2024). [Open Access URL]
  Group(s): Schueler / Project(s): ASM
10.24435/materialscloud:9b-5n — Internal consistency of multi-tier GW+EDMFT, by R. Mushkaev, F. Petocchi, V. Christiansson, P. Werner
Related MARVEL publication:
- R. Mushkaev, F. Petocchi, V. Christiansson, P. Werner, Internal consistency of multi-tier GW+EDMFT, npj Computational Materials 10, 182 (2024). [Open Access URL]
  Group(s): Werner / Project(s): ASM
10.24435/materialscloud:gq-6x — Electric field tunable bandgap in twisted double trilayer graphene, by M. L. Perrin, A. Jayaraj, B. Ghawri, K. Watanabe, T. Taniguchi, D. Passerone, M. Calame, J. Zhang
Related MARVEL publication:
- M. L. Perrin, A. Jayaraj, B. Ghawri, K. Watanabe, T. Taniguchi, D. Passerone, M. Calame, J. Zhang, Electric field tunable bandgap in twisted double trilayer graphene, npj 2D Materials and Applications 8, 14 (2024). [Open Access URL]
  Group(s): Passerone / Project(s): ASM
10.24435/materialscloud:zq-tj — Berry curvature signatures in chiroptical excitonic transitions, by S. Beaulieu, S. Dong, V. Christiansson, P. Werner, T. Pincelli, J. D. Ziegler, T. Taniguchi, K. Watanabe, A. Chernikov, M. Wolf, L. Rettig, R. Ernstorfer, M. Schüler
Related MARVEL publication:
- S. Beaulieu, S. Dong, V. Christiansson, P. Werner, T. Pincelli, J. D. Ziegler, T. Taniguchi, K. Watanabe, A. Chernikov, M. Wolf, L. Rettig, R. Ernstorfer, M. Schüler, Berry curvature signatures in chiroptical excitonic transitions, Science Advances 10, eadk3897 (2024). [Open Access URL]
  Group(s): Schueler, Werner / Project(s): ASM

research-collection.ethz.ch/handle/20.500.11850/708675 — Towards Exascale Simulations of Nanoelectronic Devices in the GW Approximation, by Leonard Deuschle
Related MARVEL publication:
- L. Deuschle, A. Maeder, V. Maillou, N. Vetsch, A. Winka, J. Cao, A. N. Ziogas, M. Luisier, Towards Exascale Simulations of Nanoelectronic Devices in the GW Approximation, 988–1003 (2024). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
zenodo.org/records/14599924 — Nature of the photoinduced metallic state in monoclinic VO₂, by Jiyu Chen, Francesco Petocchi, Viktor Christiansson, and Philipp Werner
Related MARVEL publication:
- J. Chen, F. Petocchi, V. Christiansson, P. Werner, Nature of the photoinduced metallic state in monoclinic VO₂, Physical Review B 109, L201101 (2024). [Open Access URL]
  Group(s): Werner / Project(s): ASM

10.24435/materialscloud:zq-tj — Berry curvature signatures in chiroptical excitonic transitions, by S. Beaulieu, S. Dong, V. Christiansson, P. Werner, T. Pincelli, J. D. Ziegler, T. Taniguchi, K. Watanabe, A. Chernikov, M. Wolf, L. Rettig, R. Ernstorfer, M. Schüler
Related MARVEL publication:
- S. Beaulieu, S. Dong, V. Christiansson, P. Werner, T. Pincelli, J. D. Ziegler, T. Taniguchi, K. Watanabe, A. Chernikov, M. Wolf, L. Rettig, R. Ernstorfer, M. Schüler, Berry Curvature Signatures in Chiroptical Excitonic Transitions, arXiv:2308.09634 (2023). [Open Access URL]
  Group(s): Schueler, Werner / Project(s): ASM
10.5281/zenodo.8128962 — Raw Experimental Data for "Exchange interactions and intermolecular hybridization in a spin-1/2 nanographene dimer", by N. Krane, E. Turco, A. Bernhardt, D. Jacob, G. Gandus, D. Passerone, M. Luisier, M. Juríček, R. Fasel, J. Fernández-Rossier, P. Ruffieux
Related MARVEL publication:
- N. Krane, E. Turco, A. Bernhardt, D. Jacob, G. Gandus, D. Passerone, M. Luisier, M. Juríček, R. Fasel, J. Fernández-Rossier, P. Ruffieux, Exchange Interactions and Intermolecular Hybridization in a Spin-1/2 Nanographene Dimer, Nano Letters 23, 9353–9359 (2023). [Open Access URL]
  Group(s): Luisier, Passerone / Project(s): ASM

10.24435/materialscloud:2z-33 — Light-matter interactions in van der Waals photodiodes from first principles, by J. Cao, S. Fiore, C. Klinkert, N. Vetsch, M. Luisier
Related MARVEL publication:
- J. Cao, S. Fiore, C. Klinkert, N. Vetsch, M. Luisier, Light-matter interactions in van der Waals photodiodes from first principles, Physical Review B 106, 035306 (2022). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.24435/materialscloud:nh-nk — Dynamics of van der Waals charge qubit in two-dimensional bilayer materials: Ab initio quantum transport and qubit measurement, by J. Cao, G. Gandus, T. Agarwal, M. Luisier, Y. Lee
Related MARVEL publication:
- J. Cao, G. Gandus, T. Agarwal, M. Luisier, Y. Lee, Dynamics of van der Waals charge qubit in two-dimensional bilayer materials: Ab initio quantum transport and qubit measurement, Physical Review Research 4, 043073 (2022). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.24435/materialscloud:7f-5t — Influence of the hBN dielectric layers on the quantum transport properties of MoS2 transistors., by S. Fiore, M. Luisier, F. Ducry, C. Klinkert, J. Backman
Related MARVEL publication:
- S. Fiore, C. Klinkert, F. Ducry, J. Backman, M. Luisier, Influence of the hBN Dielectric Layers on the Quantum Transport Properties of MoS₂ Transistors, Materials 15, 1062 (2022). [Open Access URL]
  Group(s): Luisier / Project(s): ASM
10.24435/materialscloud:h4-c0 — Efficient and accurate defect level modelling in monolayer MoS₂ via GW+DFT with open boundary conditions, by G. Gandus, Y. Lee, L. Deuschle, D. Passerone, M. Luisier
Related MARVEL publication:
- G. Gandus, Y. Lee, L. Deuschle, D. Passerone, M. Luisier, Efficient and accurate defect level modeling in monolayer MoS₂ via GW+DFT with open boundary conditions, Solid-State Electronics 199, 108499 (2023). [Open Access URL]
  Group(s): Luisier, Passerone / Project(s): ASM
10.24435/materialscloud:v6-nk — Mott versus hybridization gap in the low-temperature phase of 1T-TaS₂, by F. Petocchi, C. W. Nicholson, B. Salzmann, D. Pasquier, O. Yazyev, C. Monney, P. Werner
Related MARVEL publication:
- F. Petocchi, C. Nicholson, B. Salzmann, D. Pasquier, O. Yazyev, C. Monney, P. Werner, Mott versus Hybridization Gap in the Low-Temperature Phase of 1T-TaS₂, Physical Review Letters 129, 016402 (2022). [Open Access URL]
  Group(s): Werner, Yazyev / Project(s): ASM, DD5, DD6
10.24435/materialscloud:ck-7m — Probing magnetic orbitals and Berry curvature with circular dichroism in resonant inelastic X-ray scattering, by M. Schüler, T. Schmitt, P. Werner
Related MARVEL publication:
- M. Schüler, T. Schmitt, P. Werner, Probing magnetic orbitals and Berry curvature with circular dichroism in resonant inelastic X-ray scattering, npj Quantum Materials 8, 6 (2023). [Open Access URL]
  Group(s): Schueler, Werner / Project(s): ASM