Efficient numerical simulation of simulated moving bed chromatography with a single-column solver. - Qiao-Le He; Samuel Leweke; Eric von Lieres (Comput. Chem. Eng., 2018)

Model-based process design of a ternary protein separation using multi-step gradient ion-exchange SMB chromatography. - Qiao-Le He; Zhaoxi Sun; Liming Zhao (CoRR, 2019)

Bayesian inference based process design and uncertainty analysis of simulated moving bed chromatographic systems. - Qiao-Le He; Liming Zhao (CoRR, 2019)

Model-based process design of a ternary protein separation using multi-step gradient ion-exchange SMB chromatography. - Qiao-Le He; Eric von Lieres; Zhaoxi Sun; Liming Zhao (Comput. Chem. Eng., 2020)

SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations. - Zhaoxi Sun; Qiao-Le He; Xiao Li; Zhengdan Zhu (J. Comput. Aided Mol. Des., 2020)

Clustering-based convergence diagnostic for multi-modal identification in parameter estimation of chromatography model with parallel MCMC. - Yue-Chao Zhu; Zhaoxi Sun; Qiao-Le He (CoRR, 2021)

A General Picture of Cucurbit[8]uril Host-Guest Binding. - Zhaoxi Sun; Zhe Huai; Qiao-Le He; Zhirong Liu (J. Chem. Inf. Model., 2021)