Publications

Google Scholar

2024

[15] Guillot, K. A. Brahana, P. J., Al Harraq, A., Ogbonna, N. D., Lombardo, N. S., Lawrence, J., An, Y., Benton, M. G., Bharti, B., Selective Vapor Condensation for the Synthesis and Assembly of Spherical Colloids with a Precise Rough Patch, JACS Au, 2024, 4, 3, 1107–1117.

[14] An, Y., Webb, M. A., Jacobs, W. M., Active learning of the thermodynamics-dynamics tradeoff in protein condensates, Sci. Adv., 2024, 10 (1), eadj2448.

2023

[13] Ma, Y., Heil, C., Nagy, G., Heller, W., An, Y., Jayaraman, A., Bharti B., Synergistic Role of Temperature and Salinity in Aggregation of Nonionic Surfactant-Coated Silica Nanoparticles, Langmuir, 2023, 39(16) 5917–5928.

2020

[12] An, Y., Deshmukh, S. A., Machine-learning approaches for backmapping coarse-grained models to all-atom models, ChemComm, 2020, 56 (65) 9312-9315.

[11] Wang, Y., An, Y. (co-first author), Shmidov, Y., Bitton, R., Deshmukh, S. A., Matson, J., A combined experimental and computational approach reveals how aromatic peptide amphiphiles self-assemble to form ion-conducting nanohelices, 2020, Mater. Chem. Front, 4 (10), 3022-3031.

2019

[10] Conway, O., An, Y., Bejagam, K., Deshmukh, S. A., Development of Transferable Coarse-Grained Models of Amino Acids, Molecular Systems Design & Engineering, 2019, 5 (3), 675-685.

[9] Solorzano, I., Bejagam, K., An, Y., Singh. S., Deshmukh, S. A., Solvation dynamics of N-substituted acrylamide polymers and its importance on the phase transition behavior, Soft Matter, 2019, 16 (6), 1582-1593.

[8] An, Y., Singh, S.; Bejagam, K. K., Deshmukh, S. A. Development of an Accurate Coarse-Grained Model of Poly(acrylic acid) in Explicit Solvents , Macromolecules, 2019, 52 (13), 4875-4887.

[7] Singh, S.; Bejagam, K. K., An, Y., Deshmukh, S. A. Machine-Learning Based Stacked Ensemble Model for Accurate Analysis of Molecular Dynamics Simulations, J. Phys. Chem. A, 2019, 123 (24), 5190-5198.

[6] An, Y., Bejagam, K. K., Deshmukh, S. A. Development of Transferable Nonbonded Interactions between Coarse-Grained Hydrocarbon and Water Models, J. Phys. Chem. B, 2019, 123 (4), 909-921.

2018

[5] Bejagam, K. K.; An, Y., Singh, S, Deshmukh, S. A. Machine-Learning Enabled New Insights into the Coil-to-Globule Transition of Thermosensitive Polymers Using a Coarse-Grained Model, J. Phys. Chem. Lett., 2018, 9 (22), 6480-6488.

[4] Bejagam, K. K., Singh, S.; An, Y., Deshmukh, S. A. Machine-Learned Coarse-Grained Models, J. Phys. Chem. Lett., 2018, 9 (16), 4667-4672.

[3] An, Y., Bejagam, K. K., Deshmukh, S. A. Development of New Transferable Coarse-Grained Models of Hydrocarbons, J. Phys. Chem. B, 2018, 122 (28), 7143-7153.

[2] Bejagam, K. K.; Singh, S., An, Y., Berry, C.; Deshmukh, S. A. PSO-Assisted Development of New Transferable Coarse-Grained Water Models, J. Phys. Chem. B, 2018, 122 (6), 1958-1971.

2015

[1] Lin, L, Geng, H., An, Y., Li, P., Chang, H. Preparation and properties of PVDF hollow fiber membrane for desalination using air gap membrane distillation, Desalination, 2015, 367, 145-153.