• 2024/03/29-03/31 The group ventured to the Huangshan Mountains again. We lodged at the same guesthouse as during our 2019 trip, and enjoyed the stunning beauty of Huangshan on Saturday. The trip ended with a relaxing walk in the Xixinan ancient village on Sunday. This excursion also served as a farewell party for Dr. Ye Ding, to whom we extend our best wishes for the future.

  • 2024/02/28 Ye successfully defended his PhD thesis on a heavily rainy day. We thank Profs. Jingyuan Li, Tong Zhu, Yang Guo, Shi Liu, and Bobo Dang for serving on Ye’s committe. Congrats, Dr. Ding!

  • 2024/01/01 Jing was promoted to tenured associate professor at School of Life Sciences, Westlake University.



  • 2023/11/28 We organized Tengyu’s PhD defense in the morning. She did a great job standing for an extensive three hours. In the afternoon, one of her committe member, Prof. Hao Wu from STJU gave a presentation for us on “Reaction coordinate flows for model reduction of molecular kinetics”. On the next day, the group went to a villa together to celebrate Jinfeng and Tengyu’s graduation!
Party to celebrate Jinfeng and Tengyu's graduation
Party to celebrate Jinfeng and Tengyu's graduation

  • 2023/11/20 Jinfeng successfully defended his PhD thesis titled “Modeling Redox Reactions in Biomolecules with the Drude Polarizable Force Field”. We thank Profs. Ye Mei, Yong Wang, Yang Guo, Bobo Dang and Qi Hu for serving on the defense committe; and most importantly, congratulations, Dr. Chen!

  • 2023/09/11 Jing was awarded 2023 Outstanding Teacher of Hangzhou from the Hangzhou Municipal Education Bureau.

  • 2023/06/21 Some of the group members went to Qingdao for the CCS 33rd National meeting. Yingnan present an oral talk on topological links, and Zilin’s poster on the CAR algorithm won the Best Poster Award. Congrats!

  • 2023/05/23 After an intense dissertation defense lasting 2.5 hours, Xiaoli emerged triumphantly and has now earned her Doctor of Philosophy degree! Congratulations, Dr. Lu!

Party on Xiaoli's PhD defense
Party on Xiaoli's PhD defense
Venus and Moon
Venus and Moon

  • 2023/05/19 Prof. Zhiqin Xu from SJTU visited the lab and delivered an interesting talk on how and why deep neural networks work.

  • 2023/04/27 & 2023/05/14 The group enjoyed two team building activities. First a relaxing outing at the Momo Spring, which also served as a farewell party for Zongyang, who is about to start a new journey in protein simulations at Biomap in Suzhou. Best wishes Zongyang and you will be missed. The second team-building was a spring excursion at the Longwu Tea Villiage, featured by a barbecue feast.

  • 2023/03/31 Jinfeng Chen, Xiaoli Lu and Qiaozhu Tan delivered oral presentation about their research results in the ACS 2023 Spring meeting.



  • 2022/12/01 Mr. Rui Zhan joined the lab as a research assistant. Welcome on board!

  • 2022/11/19 Dr. Wenyi Zhang and Dr. Yingnan Hou received grants from the Natural Science Foundation of Zhejiang Province. Congrats!

  • 2022/11/15 Our proposal on “Development of Key Techniques on AI Drug Discovery” for the Zhejiang Provincial Key R&D program is funded.

  • 2022/11/01 Mr. Jiang Du joined the lab as a research assistant. Welcome!

  • 2022/10/12 Xiaoli got the National scholarship and Tengyu was awarded the SuWu scholarship. Congratulations!

  • 2022/10/08 Ms. Qianqing Xu start her rotation in our group.

  • 2022/10/01 Finally, the lab moved from the Yunxi campus into the Yungu campus. Hooray!

  • 2022/09/01 Dr. Zilin Song officially join the lab as a postdoctoral fellow. In the meantime, Ms. Yueying Zhang start her rotation. Welcome on board!

  • 2022/08/28-29 Our group enjoyed a pleasant getaway in Putigu at Yuhang.

Group Trip at Putigu, 2022
Group Trip at Putigu, 2022

  • 2022/08/15 Congratulations Dr. Chengwei Zhang! Chengwei successfully defend his PhD thesis today and he is the first PhD graduated from our lab. He carried out large scale simulations of nuclesomes and revealed how histone tails impact the interaction between two nuclesomes. All the best Chengwei!

  • 2022/03/24 Jing and Xiaoli attended virtually the ACS Spring 2022. Jing presented a CADD talk in a special session on ``ACS Award for Computers in Chemical & Pharmaceutical Research in honor of Alexander MacKerell’’, while Xiaoli gave an oral talk on APP processing by γ-secretase.



  • 2021/10/20 A couple of good news: Qiaozhu and Ms. Runtong Qian started their PhD studies in our lab; Chengwei was awarded the SuWu scholarship; You, Yi, Wenyi and Jinfeng attended at the 16th National Conference on Computer Chemistry in Changchun, and Yi received the best poster award; Our proposal on transporters has been funded by NSFC general program.

  • 2021/07/26 Ms. Ruihan Dong from Tianjin University visited us for 3 weeks as a summer intern.

  • 2021/06/21 Congratulations to Ye and Tengyu. Both of them will deliver an oral presentation in ACS Fall 2021.

  • 2021/04/16-17 The group went for a spring excursion at Mogan Mountain.

Group Trip at Mogan Mountain, 2021
Group Trip at Mogan Mountain, 2021