Our group focuses on theoretical computation of biological and biomimetic systems, and the main research directions include, but are not limited to.

(1) Chromatin folding: Combining computer simulations, biomimetic analysis and machine learning methods to predict the advanced structure of chromatin and its regulation of gene expression.

(2) Biological phase separation: theoretical calculations to reveal the physicochemical mechanisms of phase separation and phase transition in biological systems and their correlation with biological functions.

(3) Biomimetic system design: design of novel materials and artificial intelligence algorithms based on the inspiration of biological systems.

Proposed a four-dimensional forest model of chromatin folding and a phase-separated higher-order catalytic model of genomic polysome interactions; Revealing the functional structure of disordered regions within the nuclear pore and explaining the pathway selection for trans-nuclear pore transport; Designed and studied multi-functional multi-response intelligent artificial nanopore and high performance ion rectifier; Developed a high-precision and high-efficiency theoretical calculation method for non-equilibrium states. This work has been published in leading international journals such as Science Advances, Nature Communications, Journal of the American Chemical Society, ACS Nano, and Cell Reports. The work on the advanced structure of the genome has received special attention from Francis Collins, Director of the NIH and former head of the Human Genome Project, who commented that "the new picture of the human three-dimensional genome provides new insights for understanding and attacking cancer".

Representative papers:

1. S. Qin#, Z. Yang#, H. Liu, X. Wang, B. Miao, S. Hou*, K. Huang*. Binding memory of liquid molecules. Nature Communications, 16, 6555 (2025)

2. M. Yang, S. Qin, X. Quan, J. Wang, J. Zhou*, J. Zhao*, K. Huang*. Molecular mechanism of polyphosphate-mediated nanosheet self-assembly. Langmuir, 41, 20, 12538–12545 (2025)

3. H. Zhao#, L. Shu#, S. Qin#, F. Lyu, F. Liu, E. Lin, S. Xia, B. Wang, M. Wang, F. Shan, Y. Lin, L. Zhang, Y. Gu, G. A. Blobel, K. Huang*,H. Zhang*. Extensive mutual influences of SMC complexes shape 3D genome folding. Nature, 640(8058):543-553 (2025)

4. P. Geng#, C. Li#, X. Quan#, J. Peng#, Z. Yao, Y. Wang, M. Yang, Y. Wang, Y. Xiong, H. Liu, Y. Qi, P. Yang, K. Huang*, X. Fang*. A thermosensor FUST1 primes heat-induced stress granule formation via biomolecular condensation in Arabidopsis. Cell Research (2025)

5. K. Huang*, Y. Li, A. Shim, R. Virk, V. Agrawal, A. Eshein, R. Nap, L. Almassalha, V. Backman* and I. Szleifer*, Physical and data structure of 3D genome, Science Advances,6: eaay4055 (2020)

6. K. Huang, M. Tagliazucchi, S.H. Park, Y. Rabin and I. Szleifer*, Nanocompartmentalization of the nuclear pore lumen, Biophysical Journal,118, 219-231 (2020)

7. K. Huangand I. Szleifer*, Design of multifunctional nanogates in response to multiple external stimuli using amphiphilic copolymer, Journal of the American Chemical Society, 139, 6422-6430 (2017)

8. K. Huang*and I. Szlufarska*, Effect of interfaces on nearby Brownian motion, Nature Communications, 6:8558 doi: 10.1038/ncomms9558 (2015)

9. K. Huang* and I. Szlufarska*, Green-Kubo relation for friction at liquid-solid interfaces, Physical Review E, 89, 032119 (2014)

*corresponding author