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@@ -9,7 +9,7 @@ The second *"School on the Calculation of Ionic Quantum and Anharmonic Effects w
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This school is ideal for participants interested in learning how to compute thermodynamic, vibrational, transport, spectroscopic, and superconducting properties in strongly anharmonic materials, as well as for those wishing to become familiar with the latest advances in the SSCHA framework. The program will begin with introductory lectures and practical sessions covering the core concepts of the SSCHA and basic calculations. Subsequently, more specialized lectures will delve into phase transitions, spectroscopic properties, thermal conductivity, and electron–phonon interactions. During the hands-on sessions, participants will learn how to compute the critical temperature of charge-density-wave transitions, Raman and infrared spectra of strongly anharmonic systems, thermal conductivity at multiple theoretical levels, and the superconducting properties of materials, even in regimes where the harmonic approximation fails.
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All lectures and practical activities will be delivered online. While no prior experience with the SSCHA is required, participants are encouraged to have some background in phonon theory and familiarity with computer simulations using *ab initio* methods or force fields.
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All lectures and practical activities will be delivered online. Depending on the number of registered students, hands-on sessions will be performed in different groups in parallel. While no prior experience with the SSCHA is required, participants are encouraged to have some background in phonon theory and familiarity with computer simulations using *ab initio* methods or force fields.
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We look forward to welcoming you this June to explore the capabilities and subtleties of the SSCHA.
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| | Monday, <br /> June 8 | Tuesday, <br /> June 9 | Wednesday, <br /> June 10 | Thursday, <br /> June 11 | Friday, <br /> June 12 |
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| 13:00-14:30 | Lecture1: <br /> **Lecturer1** <br /> *Theory of lattice vibrations, anharmonicity, and the SSCHA* | Lecture2: <br /> **Lecturer2** <br /> *First and second-order phase transitions in the SSCHA* | Hands-on-session4: <br /> **Raffaello Bianco** <br /> *Calculation of spectral functions with the SSCHA* <br /> [Video](https://www.youtube.com/watch?v=e-F-EKHA_3M) | Lecture6: <br /> **Giovanni Marini** <br /> *Theory of the electron-phonon interaction and superconductivity* <br /> [Slides](Lecture6_Marini.pdf) [Video](https://www.youtube.com/watch?v=lXhLcIXTfrc) | Lecture8: <br /> **Đorđe Dangić** <br /> *Thermal conductivity in strongly anharmonic crystals* <br /> [Slides](Lecture8_Dangic.pdf) [Video](https://www.youtube.com/watch?v=oQWvzJB-uwk&t=6s) |
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| 13:00-14:30 | Lecture1: <br /> **Lecturer1** <br /> *Theory of lattice vibrations, anharmonicity, and the SSCHA* | Lecture2: <br /> **Lecturer2** <br /> *First and second-order phase transitions in the SSCHA* | Lecture3: <br /> **Lecturer3** <br /> *Spectral functions, Raman and infrared spectra of strongly anharmonic materials* | Lecture4: <br /> **Lecturer4** <br /> *Thermal conductivity in strongly anharmonic crystals* | Lecture5: <br /> **Lecturer5** <br /> *Theory of the electron-phonon interaction and superconductivity in anharmonic crystals* <br /> |
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| 14:30-14:45 | Break | Break | Break | Break | Break |
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| 11:00-12:30 | Lecture2: <br /> **Ion Errea** <br /> *Non-perturbative anharmonicity and the SSCHA* <br /> [Slides](Lecture2_Errea.pdf) [Video](https://www.youtube.com/watch?v=-bmpyopiUMc) | Hands-on-session3: <br /> **Diego Martinez** <br /> *Calculations of second-order phase transitions with the SSCHA* <br /> [Video](https://www.youtube.com/watch?v=JWQyO-EACVw) | Lecture5: <br /> **Antonio Siciliano** <br /> *Raman and Infrared spectra of strongly anharmonic materials* <br /> [Slides](Lecture5_Siciliano.pdf) [Video](https://www.youtube.com/watch?v=3zUgEUSPwk0) | Hands-on-session7: <br /> **Ion Errea** <br /> *Calculation of the electron-phonon interaction and superconducting properties with the SSCHA* <br /> [Video](https://www.youtube.com/watch?v=oSRAx6eNFtc) | Hands-on-session9: <br /> **Đorđe Dangić** <br /> *Thermal conductivity calculations with the SSCHA* <br /> [Video](https://www.youtube.com/watch?v=FjhvCO_dWdY) |
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| 12:30-14:30 | Lunch Break | Lunch Break | Lunch Break | Lunch Break | End of School |
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| 14:30-16:00 | Hands-on-session1: <br /> **Diego Martinez** <br /> *First SSCHA simulations: free energy and structural relaxations* <br /> [Video](https://www.youtube.com/watch?v=3cE6Sw_7hSk) | Lecture4: <br /> **Raffaello Bianco** <br /> *Spectral functions and spectroscopic properties* <br /> [Slides](Lecture4_Bianco.pdf) [Video](https://www.youtube.com/watch?v=MW3q7jhq6d4) | Hands-on-session5: <br /> **Lorenzo Monacelli** <br /> *Raman and Infrared spectra with the SSCHA* <br /> [Video](https://www.youtube.com/watch?v=_6pJ4uI0UKc) | Hands-on-session8: <br /> **Giovanni Marini** and **Guglielmo Marchese** <br /> *Calculation of the electron-phonon interaction with the SSCHA and Wannier functions: the EPIQ code* <br /> [Video](https://www.youtube.com/watch?v=90a2yfGxljs) | |
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| 16:00-16:30 | Coffee Break | Coffee Break | Coffee Break | Coffee Break | |
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| 16:30-18:00 | Hands-on-session2: <br /> **Lorenzo Monacelli** <br /> *Setting up automatic SSCHA simulations on clusters* <br /> [Video](https://www.youtube.com/watch?v=Z0K_9zrGcJI) | **Oral Contributed Talks1** <br /> 16:30-16:42 [Davide Romanin](01_Romanin.pdf) <br /> 16:42-16:54 [Nina Girotto](02_Girotto.pdf) <br /> 16:54-17:06 [Virginie de Mestral](03_deMestral.pdf) <br /> 17:06-17:18 [Daniil Poletaev](04_Poletaev.pdf) <br /> 17:18-17:30 [Nityasagar Jena](05_Jena.pdf) <br /> 17:30-17:42 [Tomas Northam](06_Northam.pdf) <br /> 17:42-17:54 [Stefano Paolo Villani](07_Villani.pdf) | Hands-on-session6: <br /> **Đorđe Dangić** <br /> *The SSCHA with machine learning potentials* <br /> [Video](https://www.youtube.com/watch?v=gaIT7gRECho) | 16:30-17:15 Lecture7: <br /> **Lorenzo Monacelli** <br /> *Strengths and limitations of the SSCHA: how does it compare with other approaches?* <br /> [Slides](http://www.lafisicadimonacelli.it/slides/sscha_school_2023/) [Video](https://www.youtube.com/watch?v=4vq5U6BVoTc) <br /> **Oral Contributed Talks2** <br /> 17:15-17:27 [Hussien H. Osman](08_Osman.pdf) <br /> 17:27-17:39 [Alfredo Fiorentino](10_Fiorentino.pdf) <br /> 17:39-17:51 [Jose Angel Silva Guillén](11_Silva.pdf) | |
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| 20:30-23:30 | | | Conference Dinner | | |
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| 14:45-17:00 | Hands-on-session1: <br /> **Several Instructors** <br /> *First SSCHA simulations: free energy and structural relaxations* | Hands-on-session2: <br /> **Several Instructors** <br /> *Structural phase transitions with the SSCHA* | Hands-on-session3: <br /> **Several Instructors** <br /> *Spectral functions, Raman and infrared spectra with the SSCHA* | Hands-on-session4: <br /> **Several Instructors** <br /> *Thermal conductivity calculations with the SSCHA* | Hands-on-session5: <br /> **Several Instructors** <br /> *Electron-phonon calculations with SSCHA phonons* |
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