Workshop on

Ab-initio Phonon Thermal Transport in Solids

Nov 20 - Nov 22, 2023

IIT Bombay, Mumbai, India

About

This workshop will be a combination of classroom lectures and practical hands-on sessions. The classroom sessions will primarily focus on the computational aspects related to the study of thermal transport in semiconducting materials. Some of the topics to be covered include numerical parameters for ab-initio calculations and phonon scattering, the physics of phonons in thermal transport (including three-phonon scattering, four-phonon scattering, temperature-dependent force constants, phonon renormalization, and multi-channel transport), among others.

Participants will engage in hands-on simulations using a newly developed indigenous code, which will be accessible to all attendees. These practical sessions will run on the Linux operating system, so it is expected that participants have a basic understanding of high-performance computing, scripting, and preferably Python, as it would be an added advantage.

Moreover, individuals who are already conducting similar calculations for their research and have experience with tools like Quantum Espresso/VASP and one of the phonon/Boltzmann transport packages (such as ShengBTE, Phonon3py, etc.) are likely to derive even greater benefits from this workshop.

Event Details:

Funding: Sponsored by the National Supercomputing Mission.

Registration Fee: INR 4000 (includes 3 nights on-campus accommodation and meals). INR 1000 for local participants (no accomodation)

Workshop Dates: November 20 to November 22, 2023.

Venue: IITB Campus

Accommodation: On-campus accommodation will be provided to the selected participants in the IITB guest house.

Travel Reimbursement: Selected participants will be eligible for travel expense reimbursement.

Don't miss this opportunity to enhance your knowledge and skills in computational thermal transport. Register now and be part of this enriching learning experience!


Timeline (tentative)

Workshop Announcement:
1 Oct 2023
Registration Last Date:
15 Oct 2023 18 Oct 2023
Invitation Letters:
25 Oct 2023
Event Dates:
20 Nov - 22 Nov 2023

Schedule (tentative)

Day-1

10:00 - 11:00
Lecture-1: Introduction to Thermal Transport
11:00 - 11:30
Tea Break
11:30 - 12:30
HandsOn-1: DFT Numerical Parameters
12:30 - 14:00
Lunch Break
14:00 - 15:00
Lecture-2: Numerical Parameters for vanilla Thermal Transport employing lowest-order physics
15:00 - 15:30
Tea Break
15:30 - 16:30
HandsOn-2: Numerical Parameters for vanilla Thermal Transport employing lowest-order physics

Day-2

10:00 - 11:00
Lecture-3: Higher-order Thermal Transport Physics: T-dependent IFCs
11:00 - 11:30
Tea Break
11:30 - 12:30
HandsOn-3: Higher-order Thermal Transport Physics: T-dependent IFCs
12:30 - 14:00
Lunch Break
14:00 - 15:00
Lecture-4: Higher-order Thermal Transport Physics: Phonon Renormalization, Multi-channel Transport, and Four-phonon Scattering
15:00 - 15:30
Tea Break
15:30 - 16:30
HandsOn-4: Higher-order Thermal Transport Physics: Phonon Renormalization, Multi-channel Transport, and Four-phonon Scattering

Day-3

10:00 - 11:00
Guest Lecture-1: TBD
11:00 - 11:30
Tea Break
11:30 - 12:30
Guest Lecture-2: TBD
12:30 - 14:00
Lunch Break
14:00 - 16:00
Participant's Poster Session

Registration

Please fill out the Google Form to register your interest.


FAQs

  • Will I get my train tickets reimbursed?

    - Third-AC train tickets via the shortest possible train route will be reimbursed for selected participants on submission of travel claim with payment receipt and train tickets. Candidates will be asked to submit the claims and the reimbursement would be done after the workshop.

  • Is it mandatory to present poster?

    - Yes. All participants shall present the poster on their research work (could be thermal or other) in order to be eligible for travel reimbursement.

  • Can I print poster in IITB?

    - Since the participant poster session is on the last day of the workshop, you could get your posters printed here in Mumbai just outside IITB entrance. However, it is solely participants responsibility to get them done on time.

  • Will you provide accomodation?

    - Yes. Accomodation is included in the registration fees.

  • How about food?

    - Breakfast, Lunch, and Tea/Snacks are included in the registration fees.

  • How about incidents/accidents during travel or event?

    - All participants are resposible for their ownn safety and well-being. IIT Bombay takes no responsibility in this regard.

  • I do not require any travel or accomodation support but I would really like to attend the event?

    - Please make sure to indicate this in the registration form. It may be possible to accomodate more participants in case participant wants to opt-out of travel/accomodation support.


TEAM (Instructors and TAs)

Amey Gajanan Gokhale

Shahid Ahmed

Praveen Kumar Yadav