Group Meeting
=============

For details about the group's schedule, please contact Professor Zhang to be added to the lab’s Google Calendar.

Progress Update / Journal Club
--------------------------------

**Every Thursday from 3:00 PM to 5:00 PM (Hong Kong time)**, we alternate between a Progress Update and a Journal Club. Join via `Microsoft Teams Link <teams.microsoft.com/l/meetup-join/19%3ameeting_YWQ1OWNhYzAtODk0YS00MTU4LTgyZDUtYjgyZGExYThlMjI4%40thread.v2/0?context=%7b"Tid"%3a"a2c8f93f-126b-4596-a360-8941a8984b08"%2c"Oid"%3a"a01f610e-456a-478e-a980-248fa8edd125"%7d>`_.

- During the **Progress Update**, please share your project progress from the past two weeks — Professor Zhang will join us for helpful discussions.

- During the **Journal Club**, one group member will give a literature presentation. After that, some technical issues will also be discussed.

For Progress Update, ppt slides are not mandatory, but it is essential to clearly present the work content and the subsequent plan.

For Journal Club, please prepare ppt slides on the paper using :download:`CUHK PPT template <_static/CUHK60_PPT_Template_16-9.pptx>`, this ppt slides should be understandable by others too and may be uploaded to group site. If the paper touches on additional/related concepts, methods, it will be good to include a brief discussion of those too. Visit `our group website <https://xinglong-zhang.github.io/resources.html>`_ to **access all Journal Club ppt slides!**

Upcoming Schedule:

.. list-table::
   :header-rows: 1
   :widths: 12 15 73

   * - **Date**
     - **Presenter**
     - **Details**
   * - 05-28-2026
     - All members
     - Progress Update
   * - 06-04-2026
     - Jingyi Liu
     - Journal club
   * - 06-11-2026
     - All members
     - Progress Update
   * - 06-18-2026
     - Thomas Yeung
     - Journal club

Previous Journal Club:

.. list-table::
   :header-rows: 1
   :widths: 12 15 73

   * - **Date**
     - **Presenter**
     - **Details**
   * - 05-21-2026
     - Zihan Li
     - `Hybrid Computational Strategy for Predicting Complex Ligand–Metal Architectures <https://onlinelibrary.wiley.com/doi/10.1002/anie.202524655>`_
   * - 05-11-2026
     - Ayson Han
     - `gmx_ffconv: A Fast, User-Friendly Semi-Automated All-Atom Force Field Converter for GROMAC <https://doi.org/10.1021/acs.jcim.5c02200>`_
   * - 04-23-2026
     - Lewen Wang
     - `Machine Learning for De Novo Molecular Generation: A Comprehensive Review <https://pubs.acs.org/doi/10.1021/acschemneuro.5c00861>`_
   * - 04-09-2026
     - Huiwen Tan
     - `AiiDA: automated interactive infrastructure and database for computational science <https://www.sciencedirect.com/science/article/pii/S0927025615005820>`_
   * - 03-26-2026
     - Jingyi Liu
     - `The dark side of the forces: assessing non-conservative force models for atomistic machine learning <https://arxiv.org/pdf/2412.11569>`_
   * - 03-12-2026
     - Zihan Li
     - `Transferable Enantioselectivity Models from Sparse Data <https://www.nature.com/articles/s41586-026-10239-7>`_
   * - 02-26-2026
     - Lewen Wang
     - `A practical inverse design approach for high-entropy catalysts using generative AI <https://www.nature.com/articles/s44160-025-00983-5>`_
   * - 01-29-2026
     - Huiwen Tan
     - `Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform <https://pubs.acs.org/doi/10.1021/ci500593j>`_
   * - 01-16-2026
     - Jingyi Liu
     - `Ab initio characterization of protein molecular dynamics with AI2BMD <https://www.nature.com/articles/s41586-024-08127-z>`_
   * - 11-28-2025
     - Zihan Li
     - `Automated exploration of the conformational degrees of freedom along reaction profiles - driving a FASTCAR <https://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp01721h>`_
   * - 10-27-2025 
     - Lewen Wang
     - `Large language model guided automated reaction pathway exploration <http://doi.org/10.1038/s42004-025-01630-y>`_  
   * - 10-13-2025
     - Huiwen Tan
     - `E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials <https://www.nature.com/articles/s41467-022-29939-5>`_
   * - 09-29-2025
     - Jingyi Liu
     - `Auto-QChem: an automated workflow for the generation and storage of DFT calculations for organic molecules <https://pubs.rsc.org/en/content/articlelanding/2022/re/d2re00030j>`_
   * - 08-25-2025 
     - Yu Xie
     - `UMA: A Family of Universal Models for Atoms <https://arxiv.org/abs/2506.23971>`_
   * - 08-11-2025
     - Sum Ming Cho
     - `Sampling 3D Molecular Conformers with Diffusion Transformers <https://arxiv.org/abs/2506.15378>`_
   * - 07-25-2025
     - Zihan Li
     - `Constructing and explaining machine learning models for chemistry: example of the exploration and design of boron-based Lewis acids <https://arxiv.org/abs/2501.01576>`_
   * - 07-11-2025
     - Huiwen Tan
     - `Ab initio solution of the many-electron Schrödinger equation with deep neural networks <https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.2.033429>`_
   * - 07-04-2025
     - Lewen Wang
     - `Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models <https://arxiv.org/abs/1706.06689>`_
   * - 06-27-2025
     - Sum Ming Cho
     - `Comparing SMILES and SELFIES tokenization for enhanced chemical language modeling <https://www.nature.com/articles/s41598-024-76440-8>`_
   * - 06-20-2025
     - Isha Kumari
     - `Materials Synthesis Insights from Scientific Literature via Text Extraction and Machine Learning <https://pubs.acs.org/doi/10.1021/acs.chemmater.7b03500>`_
   * - 05-30-2025
     - Ansh Arora
     - `Leveraging large language models for predictive chemistry <https://www.nature.com/articles/s42256-023-00788-1>`_
   * - 05-23-2025
     - Zihan Li
     - `Data extraction from polymer literature using large language models <https://www.nature.com/articles/s43246-024-00708-9>`_
   * - 05-16-2025
     - Jingyi Liu
     - `Large language models for scientific discovery in molecular property prediction <https://www.nature.com/articles/s42256-025-00994-z>`_
   * - 05-02-2025
     - Zihan Li
     - `Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts <https://www.nature.com/articles/s43588-025-00783-z>`_
   * - 04-25-2025
     - Jingyi Liu
     - `Baseline correction using a deep-learning model combining ResNet and UNet <https://pubs.rsc.org/en/content/articlelanding/2022/an/d2an00868h>`_
   * - 04-18-2025
     - Huiwen Tan
     - `A review of large language models and autonomous agents in chemistry <https://pubs.rsc.org/en/content/articlelanding/2025/sc/d4sc03921a>`_
   * - 04-11-2025
     - Zihan Li
     - `An automatic end-to-end chemical synthesis development platform powered by large language models <https://www.nature.com/articles/s41467-024-54457-x>`_

Feel free to read the paper in advance. Please contact Zihan regarding matters related to group meetings.