Recordings of the 3rd SMLQC seminar are now available, Speaker Pascal Friederich

The 3rd seminar was given by Pascal Friederich on ML for Simulation, Understanding, and Design of Molecules and Materials. The 1st part of the seminar was a Lecture (https://youtu.be/WWxdZjXeK7w) followed by the 2nd part with hands-on Tutorial (https://youtu.be/8c8KB0V1bC4). Recordings are also embedded below.

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Lecture
Tutorial

Recordings of the 2nd SMLQC seminar are now available, Speaker Max Pinheiro Jr

The 2nd seminar was given by Max Pinheiro Jr about his work on nonadiabatic molecular dynamics with machine learning. The 1st part of the seminar was a Lecture (https://youtu.be/9jRxeMzpkLg) followed by the 2nd part with hands-on Tutorial (https://youtu.be/yMDUKhzipj0). Recordings are also embedded below.

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Lecture
Tutorial

Recordings of the 1st SMLQC seminar are now available, Speaker Arif Ullah

The 2nd seminar was given by Arif Ullah about his work on Quantum Dissipative Dynamics with Machine Learning. The 1st part of the seminar was a Lecture (https://youtu.be/Nx0mSPUaof8) followed by the 2nd part with hands-on Tutorial (https://youtu.be/AuWGiK53P6Y). Recordings are also embedded below.

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Lecture
Tutorial

SMLQC seminar by Arif Ullah, February 2, 2023

The very first SMLQC seminar will be given by Arif Ullah on Feb. 2, 2023 (15:00 Paris | 22:00 Beijing | 09:00 New York).

Zoom link

Title

Quantum Dissipative Dynamics with Machine Learning

Abstract

In this talk, I will present our work on Machine Learning based Quantum Dissipative Dynamics methods such as AIQD[1] and OSTL[2]. I will also talk about our recently released MLQD package (GitHub) and  QDDSET-1 (GitHub) database. The talk will be followed by a tutorial demonstrating the applicability of our methods on our MLatom@XACS cloud computing platform.

  1. Arif Ullah*, Pavlo O. Dral*, Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamicsNat. Commun. 202213, 1930. DOI: 10.1038/s41467-022-29621-w. (blog post)
  2. Arif Ullah*, Pavlo O. Dral*, One-shot trajectory learning of open quantum systems dynamics, J. Phys. Chem. Lett. 202213, 6037–6041. DOI: https://doi.org/10.1021/acs.jpclett.2c01242 | (blog post

Seminars on Machine Learning in  Quantum Chemistry and Quantum Computing for Quantum Chemistry (SMLQC)

We are pleased to announce the launch of Seminars on Machine Learning in  Quantum Chemistry and Quantum Computing for Quantum Chemistry (SMLQC) that are flexible online lectures and tutorials for highlighting recent developments and providing hands-on experience on the title topics as well as networking opportunities. SMLQC sessions are organized to bridge Symposia on Machine Learning and Quantum Chemistry, the first one held in 2021 in Xiamen, China (online) and the second one to be held in 2023 in Uppsala, Sweden (hybrid). The real-time interaction is enabled via a dedicated Slack workspace which already has many researchers active in the title fields.

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MLQCDyn

Machine Learning and Quantum Computing for Quantum Molecular Dynamics (MLQCDyn)

Sept. 5 – 9, 2022, CECAM-FR-MOSER

The Machine Learning and Quantum Computing for Quantum Molecular Dynamics [MLQCDyn] school aims at offering state-of-the-art training in quantum molecular dynamics (QMD), machine learning (ML), and quantum computing (QC) to early-stage scientists, including PhD and postdoctoral researchers coming mainly from the molecular dynamics community. The MLQCDyn school is meant to be part of a Thematic Program of the Pascal Institute of the University Paris-Saclay that will span a total of 4 weeks and will be dedicated to the discussion of the implications of machine learning and quantum computing in the field of quantum molecular dynamics (funding for the thematic program has already been approved). The MLQCDyn school will open the Thematic Program, and some of the participants in the school (lecturers and students) will also remain for one or more of the following weeks. Such an event will strengthen the collaboration between Pascal Institute and the CECAM.

Organisers

  • Mario Barbatti (Aix Marseille University)
  • Pavlo O. Dral (Xiamen University)
  • Majdi Hochlaf (Université Gustave Eiffel)
  • Artur Izmaylov (University of Toronto)
  • Dario Rocca (QC Ware Corp.)
  • Julia Maria Westermayr (University of Warwick)

More information on: https://www.cecam.org/workshop-details/1133#program-1133