Founders' Scientific Research Publications

Over the past ten years, the founders Dr. Li and Dr. Yang did many impactful research and published their work in top peer-reviewed journals.

Dr. Li's Publications

Peer-reviewed Papers:

1 Shekar, Venkateswaran, et al. "Active meta-learning for predicting and selecting perovskite crystallization experiments." The Journal of Chemical Physics 156.6 (2022).

2 Li, Zhi, et al. "Dimensional control over metal halide perovskite crystallization guided by active learning." Chemistry of Materials 34.2 (2022): 756-767.

3 Nega, Philip W., et al. "Using automated serendipity to discover how trace water promotes and inhibits lead halide perovskite crystal formation." Applied Physics Letters 119.4 (2021).

4 Tang, Yuanqing, et al. "Improving data and prediction quality of high-throughput perovskite synthesis with model fusion." Journal of chemical information and modeling 61.4 (2021): 1593-1602.

5 Li, Zhi, et al. "Robot-accelerated perovskite investigation and discovery." Chemistry of Materials 32.13 (2020): 5650-5663.

6 Pendleton, Ian M., et al. "Experiment Specification, Capture and Laboratory Automation Technology (ESCALATE): a software pipeline for automated chemical experimentation and data management." MRS Communications 9.3 (2019): 846-859.

Dr. Yang's Publications

Peer-reviewed Papers:

5

Pawan Panwar , Quanpeng Yang, and Ashlie Martini. "Temperature-dependent density and viscosity prediction for hydrocarbons: machine learning and molecular dynamics simulations." Journal of Chemical Information and Modeling 64.7 (2023): 2760-2774.

6

José Cobeña-Reyes , Quanpeng Yang et al. "Probabilistic approach to low strain rate atomistic simulations of ultimate tensile strength of polymer crystals." Journal of Chemical Theory and Computation 19.18 (2023): 6326-6331.