2025

50. Tsai, Y.-C; Zheng, J.-T.; Chiu C.-c.* 2025 "Designing Ion Pair Amphiphiles for Biomimetic Bilayer Formation via the Law of Matching Water Affinity" Journal of the Taiwan Institute of Chemical Engineers,  https://doi.org/10.1016/j.jtice.2025.106436

49. Yang, C.-T.; Cheng, P.-Y.; Tsao, Y.-C.; Chen, H.-Y.; Wu, T.-H.; Kao, T.-L.; Kung, L.-C.; Lin, S.-Y.; Chu, L.-K.*; Chiu, C.-C.* 2025.01 "Differentiating the Aβ42 Aggregation States via Intrinsic Tyrosine Fluorescence Spectrum." Chem. Phys. Lett., 858, 141739. https://doi.org/10.1016/j.cplett.2024.141739

2024

48. Wang, P.-Y.; Chiu, T.-H.; Chiu, C.-C.* 2024.01 "Molecular Effects of Li+-Coordinating Binders and Negatively Charged Binders on the Li+ Local Mobility near the Electrolyte/LiFePO4 Cathode Interface within Lithium-Ion Batteries." Polymers, 16(3), 319. 

47. Wang, P.-Y.; Chiu, C.-C.* 2024.01 "Molecular Mechanism of Decoupling between the Fluorescence Anisotropy Thermograms of Diphenylhexatriene and the Thermotropic Phase Transitions of Biomimetic Ion Pair Amphiphile Bilayers."  J. Mol. Liq. 395, 123959. https://doi.org/10.1016/j.molliq.2024.123959.

2023

46. Yao, C.-N.; Wu, T.-H.; Cheng, P.-Y.; Tsao, Y.-C.; Lu, Y.-F.; Chu, L.-K.; Chiu, C.-C.; Lin, S.-Y. 2023.04 "Real-Time Observation for Dynamic Oscillation during the Self-Assembly and Clearance of Aβ42" Chem. Eur. J. 29, e202300142  https://doi.org/10.1002/chem.202300142

45. Tsai, Y.-C.; Chen, W.-Y.; Chiu, C.-C.* 2023.02 "Molecular Effects of Site-specific Phosphate-Methylated Primer on the Structure and Motions of Taq DNA Polymerase" Comput. Struct. Biotechnol. J. 21, 1820-1827

2022

44. Tsai, Y.-C.; Chiu, C.-C.* 2022.05 "Solute Diffusivity and Local Free Volume in Cross-Linked Polymer Network: Implication of Optimizing the Conductivity of Polymer Electrolyte" Polymers 14(10), 2061

43.  Cheng, C.-Y.; Lai, Y.-F.; Hsieh, Y.-L.; Wu, C.-H.; Chiu C.-C.*; Yang, Y.-M.* 2022.05 "Divergent Effects of Cholesterol on the Structure and Fluidity of Liposome and Catanionic Vesicle Membranes" FEBS Letter s 96(14), 1827-1838

42. Subramani, R.; Pham, M.-N.; Lin, Y.-H.; Hsieh, C.-T.; Lee, Y.-L.; Jan, J.-S.; Chiu, C.-C.; Teng, H.* 2022.03 "Design of Networked Solid-State Polymer as Artificial Interlayer and Solid Polymer Electrolyte for Lithium Metal Batteries." Chem Eng J  431, 133442.

41. Pham, M.-N.; Subramani, R.; Lin, Y.-H.; Lee, Y.-L.; Jan, J.-S.; Chiu, C.-C.; Teng, H.* 2022.02 "Acylamino-Functionalized Crosslinker to Synthesize All-Solid-State Polymer Electrolytes for High-Stability Lithium Batteries." Chem Eng J  430, 132948. 

2021

40. Nguyen, H. T. T.; Nguyen, D. H.; Zhang, Q.-C.; Lee, Y.-L.; Jan, J.-S.; Chiu, C.-C.; Teng, H. 2021. 10 "A Scaffold Membrane of Solid Polymer Electrolytes for Realizing High-Stability and Dendrite-Free Lithium-Metal Batteries." J Mater Chem A, 9 (45), 25408–25417. 

39. Fang, C.-E.; Tsai, Y.-C.; Scheurer, C.; Chiu, C.-C.* 2021.04, "Revised Atomic Charges for OPLS Force Field Model of Poly(ethylene oxide): Benchmarks and Applications in Polymer Electrolyte." Polymers, 13(7), 1131.

38. Liu, H.-S.; Chen, K.-Y.; Fang, C.-E.; Chiu, C.-C.*, 2021.04,  "Comparing the Effects of Polymer Binders on Li+ Transport Near the Liquid Electrolyte/LiFePO4 Interfaces: a Molecular Dynamics Simulation Study." Electrochimica Acta,  375, 137915.

37. Lin, Y-H.; Subramani, R.; Huang, Y.-T.; Lee, Y.-L.; Jan, J.-S.; Chiu, C.-C.; Hou, S.-S.; Teng, H.*, 2021.02, "Highly Stable Interface Formation in Onsite Coagulation Dual-Salt Gel Electrolyte for Lithium-Metal Batterie." Journal of Materials Chemistry A, 9(9), 5675–5684. 

36. Tsao, C.-H.; Yang, T.-K. ; Chen, K.-Y.; Fang, C.-E.; Ueda, M.; Richter, F.; Janek, J.; Chiu, C.-C.*; Kuo, P.-L*, 2021.02, "Comparing the Ion-conducting Polymers with Sulfonate and Ether Moieties as Cathode Binders for High-Power Lithium Ion Batteries." ACS Applied Materials & Interfaces, 13, 9846−9855. 

35. Su, Y.-H.; Lin, Y.-H.; Tseng, Y. H.; Lee, Y.-L.; Jan, J. S.; Chiu, C.-C.; Hou, S.-S.; Teng, H, 2021.01,  "Postinjection Gelation of an Electrolyte with High Storage Permittivity and Low Loss Permittivity for Electrochemical Capacitors." Journal of Power Sources, 481, 228869.

2020

34. Tseng, Y. H.; Lin, Y.-H.; Subramani, R.; Su, Y.-H.; Lee, Y.-L.; Jan, J. S.; Chiu, C.-C.*; Hou, S.-S.; Teng, H*, 2020.12, "On-Site-Coagulation Gel Polymer Electrolytes with a High Dielectric Constant for Lithium-Ion Batteries." Journal of Power Sources, 480, 228802.

2019

33. 田武釗 ; 邱繼正, 2019.1o, "運用類神經網路提升分子模擬進階採樣及自由能運算之效率與準確度." 化工, 66 (5), 58-74.

32. Tien, W.-J.; Chen, K.-Y.; Huang, F.-Y.; Chiu, C.-C.*, 2019.07, "Effects of Cholesterol on Water Permittivity of Biomimetic Ion Pair Amphiphile Bilayers: Interplay Between Membrane Bending and Molecular Packing." Int. J. Mol. Sci., 20 (13), 3252.

31. Subramani, R.; Tseng, Y. H.; Lee, Y.-L.; Chiu, C.-C.; Hou, S.-S.; Teng, H.* 2019.04, "High Li+ Transference Gel Interface Between Solid-Oxide Electrolyte and Cathode for Quasi-Solid Lithium-Ion Batteries." J. Mater. Chem. A, 7 (19), 12244–12252.

2018

30. Tsao, C.-H.; Wu, E.-T.; Lee, W.-H.; Chiu, C.-C.; Kuo, P.-L. "Fluorinated Copolymer Functionalized with Ethylene Oxide as Novel Water-Borne Binder for a High-Power Lithium Ion Battery: Synthesis, Mechanism, and Application." ACS Appl. Energy Mater. 2018, 1 (8), 3999–4008.

29. Tien, W.-J.; Chiu, C.-C. "Generic Parameters of Trajectory-Extending Kinetic Monte Carlo for Calculating Diffusion Coefficients." AIP Advances 2018, 8 (6), 065311.

28. Tian, C.-A.; Chiu, C.-C. "Importance of Hydrophilic Groups on Modulating the Structural, Mechanical, and Interfacial Properties of Bilayers: a Comparative Molecular Dynamics Study of Phosphatidylcholine and Ion Pair Amphiphile Membranes." Int. J. Mol. Sci. 2018, 19 (6), 1552.

27. Han, M.-H.; Chiu, C.-C. "Fast Estimation of Protein Conformational Preference at Air/Water Interface via Molecular Dynamics Simulations." Journal of the Taiwan Institute of Chemical Engineers 2018, 92, 42-49. 

2017

26. Chen, C.-H.; Tian, C.-A.; Chiu, C.-C. The Effects of Alkyl Chain Combinations on the Structural and Mechanical Properties of Biomimetic Ion Pair Amphiphile Bilayers. Bioengineering 2017, 4 (4), 84.

25. Huang, F.-Y.; Chiu, C.-C. Interplay Between Alkyl Chain Asymmetry and Cholesterol Addition in the Rigid Ion Pair Amphiphile Bilayer Systems. J. Chem. Phys. 2017, 146 (3), 035102.

2015

24. Hoffmann, K. Q.; McGovern, M.; Chiu, C.-C.; de Pablo, J. J. Secondary Structure of Rat and Human Amylin Across Force Fields. PLoS ONE 2015, 10 (7), e0134091.

23. Chiu, C.-C.; de Pablo, J. J. Fibrillar Dimer Formation of Islet Amyloid Polypeptides. AIP Advances 2015, 5 (9), 092501.

2014

22. Whitmer, J. K.; Chiu, C.-C.; Joshi, A. A.; de Pablo, J. J. Basis Function Sampling: a New Paradigm for Material Property Computation. Phys. Rev. Lett. 2014, 113 (19), 190602.

2013

21. Buchanan, L. E.; Dunkelberger, E. B.; Tran, H. Q.; Cheng, P.-N.; Chiu, C.-C.; Cao, P.; Raleigh, D. P.; de Pablo, J. J.; Nowick, J. S.; Zanni, M. T. Mechanism of IAPP Amyloid Fibril Formation Involves an Intermediate with a Transient beta-Sheet. Proceedings of the National Academy of Sciences 2013, 110 (48), 19285–19290.

20. Chiu, C.-C.; Singh, S.; de Pablo, J. J. Effect of Proline Mutations on the Monomer Conformations of Amylin. Biophysical Journal 2013, 105 (5), 1227–1235.

19. Singh, S.; Chiu, C.-C.; Reddy, A. S.; de Pablo, J. J. alpha-Helix to beta-Hairpin Transition of Human Amylin Monomer. J. Chem. Phys. 2013, 138 (15), 155101–155101–10.

2012

18. Woys, A. M.; Almeida, A. M.; Wang, L.; Chiu, C.-C.; McGovern, M.; de Pablo, J. J.; Skinner, J. L.; Gellman, S. H.; Zanni, M. T. Parallel beta-Sheet Vibrational Couplings Revealed by 2D IR Spectroscopy of an Isotopically Labeled Macrocycle: Quantitative Benchmark for the Interpretation of Amyloid and Protein Infrared Spectra. J. Am. Chem. Soc. 2012, 134 (46), 19118–19128.

17. Singh, S.; Chiu, C.-C.; de Pablo, J. J. Efficient Free Energy Calculation of Biomolecules From Diffusion-Biased Molecular Dynamics. J. Chem. Theory Comput. 2012, 8 (11), 4657–4662.

16. Middleton, C. T.; Marek, P.; Cao, P.; Chiu, C.-C.; Singh, S.; Woys, A. M.; de Pablo, J. J.; Raleigh, D. P.; Zanni, M. T. Two-Dimensional Infrared Spectroscopy Reveals the Complex Behaviour of an Amyloid Fibril Inhibitor. Nat Chem 2012, 4 (5), 355–360.

15. Chiu, C.-C.; DeVane, R. H.; Klein, M. L.; Shinoda, W.; Moore, P. B.; Nielsen, S. O. Effect of Carboxylation on Carbon Nanotube Aqueous Dispersibility: a Predictive Coarse-Grained Molecular Dynamics Approach. J. Phys. Chem. C 2012, 116 (43), 23102–23106.

14.  Chiu, C.-C.; Shinoda, W.; DeVane, R. H.; Nielsen, S. O. Effects of Spherical Fullerene Nanoparticles on a Dipalmitoyl Phosphatidylcholine Lipid Monolayer: a Coarse Grain Molecular Dynamics Approach. Soft Matter 2012, 8 (37), 9610–9616.

2011

13. Bajaj, P.; Nguyen, J.; Gilpin, C.; Dieckmann, G.; Chiu, C.-c.; Nielsen, S.; Musselman, I. Transmission Electron Microscopy and Three-Dimensional Tomography of Peptide-Coated Single-Walled Carbon Nanotubes. Microsc Microanal 2011, 17 (S2), 1008–1009.

12. Singh, S.; Chiu, C.-C.; Pablo, J. J. Flux Tempered Metadynamics. J Stat Phys 2011, 145 (4), 932–945.

11. DeVane, R.; Jusufi, A.; Shinoda, W.; Chiu, C.-C.; Nielsen, S. O.; Moore, P. B.; Klein, M. L. Parametrization and Application of a Coarse Grained Force Field for Benzene/Fullerene Interactions with Lipids. J. Phys. Chem. B 2010, 114 (49), 16364–16372.

2010

10. DeVane, R.; Klein, M. L.; Chiu, C.-C.; Nielsen, S. O.; Shinoda, W.; Moore, P. B. Coarse-Grained Potential Models for Phenyl-Based Molecules: I. Parametrization Using Experimental Data. J. Phys. Chem. B 2010, 114 (19), 6386–6393.

9. Chiu, C.-C.; DeVane, R.; Klein, M. L.; Shinoda, W.; Moore, P. B.; Nielsen, S. O. Coarse-Grained Potential Models for Phenyl-Based Molecules: II. Application to Fullerenes. J. Phys. Chem. B 2010, 114 (19), 6394–6400.

8. Udayana Ranatunga, R. J. K.; Kalescky, R. J. B.; Chiu, C.-C.; Nielsen, S. O. Molecular Dynamics Simulations of Surfactant Functionalized Nanoparticles in the Vicinity of an Oil/Water Interface. J. Phys. Chem. C 2010, 114 (28), 12151–12157.

7. Chiu, C.-C.; Maher, M. C.; Dieckmann, G. R.; Nielsen, S. O. Molecular Dynamics Study of a Carbon Nanotube Binding Reversible Cyclic Peptide. ACS Nano 2010, 4 (5), 2539–2546.

6. Chiu, C.-C.; Ranatunga, R. J. K. U.; Flores, D. T.; Pérez, D. V.; Moore, P. B.; Shinoda, W.; Nielsen, S. O. A Mean Field Approach for Computing Solid-Liquid Surface Tension for Nanoscale Interfaces. J. Chem. Phys. 2010, 132 (5), 054706.

2009

5. Chiu, C.-C.; Moore, P. B.; Shinoda, W.; Nielsen, S. O. Size-Dependent Hydrophobic to Hydrophilic Transition for Nanoparticles: a Molecular Dynamics Study. J. Chem. Phys. 2009, 131 (24), 244706.

4. Chiu, C.-C.; Dieckmann, G. R.; Nielsen, S. O. Role of Peptide--Peptide Interactions in Stabilizing Peptide-Wrapped Single-Walled Carbon Nanotubes: a Molecular Dynamics Study. Biopolymers 2009, 92 (3), 156–163.

2008

3. Chiu, C.-C.; Dieckmann, G. R.; Nielsen, S. O. Molecular Dynamics Study of a Nanotube-Binding Amphiphilic Helical Peptide at Different Water/Hydrophobic Interfaces. J. Phys. Chem. B 2008, 112 (51), 16326–16333.

2. Vázquez, U. O. M.; Shinoda, W.; Moore, P. B.; Chiu, C.-C.; Nielsen, S. O. Calculating the Surface Tension Between a Flat Solid and a Liquid: a Theoretical and Computer Simulation Study of Three Topologically Different Methods. J Math Chem 2008, 45 (1), 161–174.

2004

1. Hsieh, H.-C.; Kumar, T. K. S.; Chiu, C.-C.; Yu, C. Equilibrium Unfolding of an Oligomeric Protein Involves Formation of a Multimeric Intermediate State(S). Biochem. Biophys. Res. Commun. 2004, 326 (1), 108–114.