Author

Lun-Na Li

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Open access Aug 2026

Computing Nucleation Rates from Confined Equilibria: The Critical Cluster Equivalence Principle

Nucleation is a fundamental step in the formation of new materials, with nucleation rates governing phase-transition pathways and outcomes that influence material properties across chemistry, physics, and biology. Nevertheless, extracting nucleation rates remains challenging: experiments are limited by the microscopi...

Lun-Na Li, Fabienne Bachtiger, A. Finney et al. · Journal of the American Chem... · 1 citation

#artificial intelligence Review Open access Sep 2026

Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation

The expansion of chemical space, advanced virtual screening, deep learning, molecular dynamics simulations, Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) modelling, and challenges for drug discovery are discussed.

Lun-Na Li, Lianna D. Soriano, W. M. Kedir et al. · Molecular Biomedicine · 0 citations