Cassandra Masschelein

PhD student, Chemistry and Chemical Engineering, EPFL - EPF Lausanne

Joined

October 2025

Names

Cassandra Masschelein (Preferred)

Emails

****@epfl.ch (Confirmed)

,

****@gmail.com (Confirmed)

Personal Links

Career & Education History

PhD student

Chemistry and Chemical Engineering, EPFL - EPF Lausanne (epfl.ch)

2025 – 2029

Advisors, Relations & Conflicts

No relations added

Expertise

No areas of expertise listed

Publications

Accelerating Scientific Discovery with Autonomous Goal-evolving Agents
Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P Gomes, Huan Sun, Chenru Duan, Philippe Schwaller et al. (1 additional authors not shown)
- P-AGI
- Readers: Everyone
Accelerating Scientific Discovery with Autonomous Goal-evolving Agents
Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P Gomes, Huan Sun, Chenru Duan, Philippe Schwaller et al. (1 additional authors not shown)
- Gen² 2026 Poster
- Readers: Everyone
Accelerating Scientific Discovery with Autonomous Goal-evolving Agents
Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P Gomes, Huan Sun, Chenru Duan, Philippe Schwaller et al. (1 additional authors not shown)
- GEM 2026
- Readers: Everyone
MDAgent: A Modular Multi-Agent Framework for Autonomous Protein-Ligand Molecular Dynamics Simulations
Salomé Guilbert, Cassandra Masschelein, Jeremy Goumaz, Bohdan Naida, Philippe Schwaller
- SIMBIOCHEM 2025 Spotlight
- Readers: Everyone

Co-Authors