Publications¶
PhD Thesis - S. Rigamonti (2007) [Download (local copy)] or [Download (CNEA server)]
29. MADAS – A Python framework for assessing similarity in materials-science data
M. Kuban, S. Rigamonti, and C. Draxl
(2024)
28. CELL: a Python package for cluster expansion with a focus on complex alloys
S. Rigamonti, M. Troppenz, M. Kuban, A. Hübner, and C. Draxl
npj Computational Materials 10, 195 (2024)
27. How big is Big Data?
D. Speckhard, T. Bechtel, L. M. Ghiringhelli, M. Kuban, S. Rigamonti, and C. Draxl
Faraday Discusssions (2024)
26. Investigation of the Pd1−xZnx alloy phase diagram using ab initio modelling approaches
L. Kabalan, I. Kowalec, S. Rigamonti, M. Troppenz, C. Draxl, C. R. A. Catlow, and A. J. Logsdail
Journal of Physics: Condensed Matter 35, 405402 (2023)
25. Partial Order-Disorder Transition Driving Closure of Band Gap: Example of Thermoelectric Clathrates
M. Troppenz, S. Rigamonti, J. O. Sofo, and C. Draxl
Phys. Rev. Lett. 130, 166402 (2023)
24. Gauge invariance of the thermal conductivity in the quantum regime
A. H"ubner, S. Rigamonti, and C. Draxl
Phys. Rev. B 108, 245201 (2023)
23. Advancing descriptor search in materials science: feature engineering and selection strategies
B. Hoock, S. Rigamonti, and C. Draxl
New Journal of Physics 24, 113049 (2022)
22. Density-of-states similarity descriptor for unsupervised learning from materials data
M. Kuban, S. Rigamonti, M. Scheidgen, and C. Draxl
Scientific Data 9, 646 (2022)
21. Roadmap on Machine Learning in Electronic Structure
H. Kulik, T. Hammerschmidt, J. Schmidt, S. Botti, M. A. L. Marques, M. Boley, M. Scheffler, M. Todorović, P. Rinke, C. Oses, A. Smolyanyuk, S. Curtarolo, A. Tkatchenko, A. Bartok, S. Manzhos, M. Ihara, T. Carrington, J. Behler, O. Isayev, M. Veit, A. Grisafi, J. Nigam, M. Ceriotti, K. T. Schütt, J. Westermayr, M. Gastegger, R. Maurer, B. Kalita, K. Burke, R. Nagai, R. Akashi, O. Sugino, J. Hermann, F. Noé, S. Pilati, C. Draxl, M. Kuban, S. Rigamonti, M. Scheidgen, M. Esters, D. Hicks, C. Toher, P. Balachandran, I. Tamblyn, S. Whitelam, C. Bellinger, and L. M. Ghiringhelli
Electronic Structure (2022)
20. Similarity of materials and data-quality assessment by fingerprinting
M. Kuban, Š. Gabaj, W. Aggoune, C. Vona, S. Rigamonti, and C. Draxl
MRS Bulletin 47, 991-999 (2022)
19. Memory Function Representation for the Electrical Conductivity of Solids
B. R. Green, M. Troppenz, S. Rigamonti, C. Draxl, and J. O. Sofo
(2021)
18. First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures
Z.-K. Han, D. Sarker, M. Troppenz, S. Rigamonti, C. Draxl, W. A. Saidi, and S. V. Levchenko
Journal of Applied Physics 128, 145302 (2020)
17. Performance of the spin-dependent Krieger-Li-Iafrate approximation in jellium slabs
C. M. Horowitz, S. Rigamonti, and C. R. Proetto
Phys. Rev. B 99, 235111 (2019)
16. Thermally enhanced Fr"ohlich coupling in SnSe
F. Caruso, M. Troppenz, S. Rigamonti, and C. Draxl
Phys. Rev. B 99, 081104 (2019)
15. CELL documentation: a python package for cluster expansion with a focus on complex alloys
S. Rigamonti, M. Troppenz, M. Kuban, A. Huebner, and C. Draxl
(2018)
14. Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba8AlxSi46-x and Sr8AlxSi46-x
M. Troppenz, S. Rigamonti, and C. Draxl
Chemistry of Materials 29, 2414-2424 (2017)
13. Rigamonti et al. Reply:
S. Rigamonti, S. Botti, V. Veniard, C. Draxl, L. Reining, and F. Sottile
Phys. Rev. Lett. 117, 159702 (2016)
12. Spin-dependent optimized effective potential formalism for open and closed systems
S. Rigamonti, C. M. Horowitz, and C. R. Proetto
Phys. Rev. B 92, 235145 (2015)
11. Unphysical and physical solutions in many-body theories: from weak to strong correlation
A. Stan, P. Romaniello, S. Rigamonti, L. Reining, and J. A. Berger
New Journal of Physics 17, 093045 (2015)
10. Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme
S. Rigamonti, S. Botti, V. Veniard, C. Draxl, L. Reining, and F. Sottile
Phys. Rev. Lett. 114, 146402 (2015)
9. exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory
A. Gulans, S. Kontur, C. Meisenbichler, D. Nabok, P. Pavone, S. Rigamonti, S. Sagmeister, U. Werner, and C. Draxl
Journal of Physics: Condensed Matter 26, 363202 (2014)
8. Optical detection of plasmonic and interband excitations in 1-nm-wide indium atomic wires
H. V. Chung, C. J. Kubber, G. Han, S. Rigamonti, D. Sanchez-Portal, D. Enders, A. Pucci, and T. Nagao
Applied Physics Letters 96, 243101 (2010)
7. Intercambio y correlación en gases electrónicos cuasi bidimensionales: formulaciones rigurosas en Teoría de la Funcional Densidad
S. Rigamonti
(2007)
PhD Thesis - S. Rigamonti (2007)
[Download (local copy)] or [Download (CNEA server)]Instituto Balseiro, Comisión Nacional de Energía Atómica, Universidad Nacional de Cuyo
6. Erratum: Signatures of Discontinuity in the Exchange-Correlation Energy Functional Derived from the Subband Electronic Structure of Semiconductor Quantum Wells [Phys. Rev. Lett. 98, 066806 (2007)]
S. Rigamonti and C. R. Proetto
Phys. Rev. Lett. 98, 239901 (2007)
5. Signatures of Discontinuity in the Exchange-Correlation Energy Functional Derived from the Subband Electronic Structure of Semiconductor Quantum Wells
S. Rigamonti and C. R. Proetto
Phys. Rev. Lett. 98, 066806 (2007)
4. Kohn-Sham Exchange Potential for a Metallic Surface
C. M. Horowitz, C. R. Proetto, and S. Rigamonti
Phys. Rev. Lett. 97, 026802 (2006)
3. Correlation Kohn-Sham potential for quasi-two-dimensional electron gases
S. Rigamonti and C. R. Proetto
Phys. Rev. B 73, 235319 (2006)
2. Novel properties of the Kohn-Sham exchange potential for open systems: Application to the two-dimensional electron gas
S. Rigamonti, C. R. Proetto, and F. A. Reboredo
Europhysics Letters 70, 116–122 (2005)
1. Exact-exchange density-functional theory applied to a strongly inhomogeneous electron gas
S. Rigamonti, F. A. Reboredo, and C. R. Proetto
Phys. Rev. B 68, 235309 (2003)