Chenru Duan

1. Evaluating Large Language Models in Scientific Discovery
   2025/12/17 by Zhangde Song, Jieyu Lu, Song, Zhangde +109 · 18 voices · 2 citations
   Materials Science · Medicine · Social Sciences · #Machine Learning in Materials Science #Artificial Intelligence in Healthcare and Education #Computational and Text Analysis Methods
2. Efficient Evolutionary Search Over Chemical Space with Large Language Models
   2024/06/23 by Haorui Wang, Wang, Haorui, Marta Skreta +24 · 12 citations
   Computer Science · Biochemistry, Genetics and Molecular Biology · #Evolutionary Algorithms and Applications #Metaheuristic Optimization Algorithms Research #DNA and Biological Computing
3. Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
   2024/10/10 by Yuanqi Du, Michael Plainer, Du, Yuanqi +13 · 1 voice · 12 citations
   Decision Sciences · #Probabilistic and Robust Engineering Design
4. A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport
   2019/07/03 by Chang‐Yu Hsieh, Hsieh, ChangYu, Junjie Liu +5 · 2 citations
   Engineering · Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Statistical Mechanics (cond-mat.stat-mech) #Thermal Radiation and Cooling Technologies #Thermal properties of materials
5. Unusual Transport Properties with Non-Commutative System-Bath Coupling Operators
   2019/07/25 by Chenru Duan, Duan, Chenru, Chang‐Yu Hsieh +5 · 2 citations
   Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Quantum and electron transport phenomena #Statistical Mechanics (cond-mat.stat-mech) #Thermal properties of materials
6. M²Hub: Unlocking the Potential of Machine Learning for Materials Discovery
   2023/06/14 by Yuanqi Du, Du, Yuanqi, Yingheng Wang +15 · 2 citations
   Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods
7. Navigating Chemical Space with Latent Flows
   2024/05/07 by Guanghao Wei, Yining Huang, Wei, Guanghao +7 · 2 citations
   Decision Sciences · #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Scientific Computing and Data Management
8. A Transferable Recommender Approach for Selecting the Best Density Functional Approximations in Chemical Discovery
   2022/07/21 by Chenru Duan, Aditya Nandy, Duan, Chenru +7 · 1 citation
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Spectroscopy and Quantum Chemical Studies
9. MatLLMSearch: Crystal Structure Discovery with Evolution-Guided Large Language Models
   2025/02/28 by Jingru Gan, Gan, Jingru, Peichen Zhong +17 · 2 citations
   Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography