QuantumChemistry.net

Welcome to QuantumChemistry.net! We aim to give learners of quantum chemistry and computational materials a welcoming place to build their knowledge, explore diverse resources, and find inspiration for study and research.

By bringing together learning notes, computational tools, and practical guidance, we hope to help ideas and experience circulate—and to grow a vibrant community of learners and researchers.

From the site's early history

Preserved from the site's early history. The news and software listings shown belong to this historical page.

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With thanks

Yujun Zhao

Professor · South China University of Technology

Studies crystal defects and doping, crystal-structure searches, and catalysis on transition-metal surfaces.

Thank you for your contribution and support to the development of quantumchemistry.net.

Profile and portrait: official university page

Wentong Geng

Professor of physics · Zhejiang Normal University

Uses first-principles calculations to study condensed matter and materials, including interfaces and the quantum design of alloys.

Thank you for your contribution and support to the development of quantumchemistry.net.

Profile and portrait: official university page

Jianwei Zhao

Professor · Jiaxing University

Works on electrochemical engineering, interfacial electron transfer, and computational chemistry.

Thank you for your contribution and support to the development of quantumchemistry.net.

Profile and portrait: official university page

Wenli Zou

Doctoral supervisor · Institute of Modern Physics, Northwest University

Develops electronic-structure methods and software, with research in relativistic quantum chemistry and precise simulations of molecular excited states and spectra.

Thank you for your contribution and support to the development of quantumchemistry.net.

Profile and portrait: official university page

Peng Liu

Richard King Mellon Chair of Chemistry · University of Pittsburgh

Uses computational chemistry to explain organic and organometallic reaction mechanisms, reactivity, and selectivity, and to guide catalyst design.

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Profile and portrait: official university page

Academic title: research group biography

Bin Shan

Professor · School of Materials Science and Engineering, HUST

Studies materials design and controlled fabrication at micro- and nanoscales, multiscale simulation, and the rational design of catalysts.

Thank you for your contribution and support to the development of quantumchemistry.net.

Profile and portrait: official university page

Maintenance and contact

This site is maintained by Prof. Bin Shan at Huazhong University of Science and Technology (HUST). Contact: bshan@mail.hust.edu.cn.