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.

• 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 CUHK PPT template, 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 to access all Journal Club ppt slides!

Upcoming Schedule:

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:

Date	Presenter	Details
05-21-2026	Zihan Li	Hybrid Computational Strategy for Predicting Complex Ligand–Metal Architectures
05-11-2026	Ayson Han	gmx_ffconv: A Fast, User-Friendly Semi-Automated All-Atom Force Field Converter for GROMAC
04-23-2026	Lewen Wang	Machine Learning for De Novo Molecular Generation: A Comprehensive Review
04-09-2026	Huiwen Tan	AiiDA: automated interactive infrastructure and database for computational science
03-26-2026	Jingyi Liu	The dark side of the forces: assessing non-conservative force models for atomistic machine learning
03-12-2026	Zihan Li	Transferable Enantioselectivity Models from Sparse Data
02-26-2026	Lewen Wang	A practical inverse design approach for high-entropy catalysts using generative AI
01-29-2026	Huiwen Tan	Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform
01-16-2026	Jingyi Liu	Ab initio characterization of protein molecular dynamics with AI2BMD
11-28-2025	Zihan Li	Automated exploration of the conformational degrees of freedom along reaction profiles - driving a FASTCAR
10-27-2025	Lewen Wang	Large language model guided automated reaction pathway exploration
10-13-2025	Huiwen Tan	E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
09-29-2025	Jingyi Liu	Auto-QChem: an automated workflow for the generation and storage of DFT calculations for organic molecules
08-25-2025	Yu Xie	UMA: A Family of Universal Models for Atoms
08-11-2025	Sum Ming Cho	Sampling 3D Molecular Conformers with Diffusion Transformers
07-25-2025	Zihan Li	Constructing and explaining machine learning models for chemistry: example of the exploration and design of boron-based Lewis acids
07-11-2025	Huiwen Tan	Ab initio solution of the many-electron Schrödinger equation with deep neural networks
07-04-2025	Lewen Wang	Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models
06-27-2025	Sum Ming Cho	Comparing SMILES and SELFIES tokenization for enhanced chemical language modeling
06-20-2025	Isha Kumari	Materials Synthesis Insights from Scientific Literature via Text Extraction and Machine Learning
05-30-2025	Ansh Arora	Leveraging large language models for predictive chemistry
05-23-2025	Zihan Li	Data extraction from polymer literature using large language models
05-16-2025	Jingyi Liu	Large language models for scientific discovery in molecular property prediction
05-02-2025	Zihan Li	Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts
04-25-2025	Jingyi Liu	Baseline correction using a deep-learning model combining ResNet and UNet
04-18-2025	Huiwen Tan	A review of large language models and autonomous agents in chemistry
04-11-2025	Zihan Li	An automatic end-to-end chemical synthesis development platform powered by large language models

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