List of Publications

For the most updated publications list, please visit my Google Scholar page.

Jingjie Yeo


Yeo J, Liu ZS, Ng TY. Silica Aerogels: A Review of Molecular Dynamics Modelling and Characterization of the Structural, Thermal, and Mechanical Properties. In: Andreoni W., Yip S. (eds) Handbook of Materials Modeling. Springer, Cham, 2018.

Cheng Y, Yeo J. On the Interface between Protein and Two-Dimensional Materials: Investigating the Adsorption of Bovine Serum Albumin on Graphene. Advances in Computational Engineering Science. 2017; p. 11-15.

Ng TY, Joshi SC, Yeo J, Liu ZS. Effects of Nanoporosity on the Mechanical Properties and Applications of Aerogels in Composite Structures. Advances in Nanocomposites. 2016; 4: p. 97–126.


Wang M, Sun T, Wan D, Dai M, Ling S, Wang J, Liu Y, Fang Y, Xu S, Yeo J, Yu H, Liu S, Wang Q, Li J, Yang Y, Fan Z, Chen W. Solar-powered nanostructured biopolymer hygroscopic aerogels for atmospheric water harvesting. Nano Energy 2021; 80: p.105569.

Yue K, Zhai C, Gu S, He Y, Yeo J, Zhou G. Performance-Enhanced Lithium Metal Batteries through Ionic Liquid Based Electrolytes and Mechanism Research Derived by Density Functional Theory Calculations. Electrochim Acta. 2021; 368: p. 137535.

Zhai C*, Li T*, Shi H*, Yeo J. Discovery and Design of Soft Polymeric Bio-inspired Materials with Multiscale Simulations and Artificial Intelligence. J Mat Chem B. 2020; (*Contributed equally, Corresponding Author) Featured on: Journal of Materials Chemistry B Emerging Investigators 2020

Chen L, Bai L, Yeo J, Wei T, Chen W, Fan Z. Wood-Derived Carbon with Selectively Introduced C═O Groups toward Stable and High Capacity Anodes for Sodium Storage. ACS Appl Mater Interfaces. 2020; 12(24): p. 27499-27507.

Tavakoli MM, Azzellino G, Hempel M, Lu A-Y, Martín-Martínez FJ, Zhao J, Yeo J, Palacios T, Buehler MJ, Kong J. Synergistic Roll-to-Roll Transfer and Doping of CVD-Graphene Using Parylene for Ambient-Stable and Ultra-Lightweight Photovoltaics. Adv Funct Mater. 2020; 30(31): p. 2001924. Featured on: MIT News,, New Atlas.

Yeo J*, Qiu Y*, Jung GS, Zhang YW, Buehler MJ, Kaplan DL. Adverse effects of Alport syndrome-related Gly missense mutations on collagen type IV: Insights from molecular simulations and experiments. Biomaterials. 2020; 240: p. 119857 (*Contributed equally)

Ang EY, Toh W, Yeo J, Lin R, Liu Z, Geethalakshmi KR, Ng TY. A Review on Low dimensional Carbon Desalination and Gas Separation Membrane Designs. J Memb Sci. 2020; 598: p. 117785

Ang EY, Ng TY, Yeo J, Lin R, Liu Z, Geethalakshmi KR. Investigations on Different Two-Dimensional Materials as Slit Membranes for Enhanced Desalination. J Memb Sci. 2020; 598: p. 117653

Barreiro DL, Moldes ZM, Yeo J, Shen S, Hawker MJ, Martín-Martínez FJ, Buehler MJ, Kaplan DL. Conductive silk-based composites using biobased carbon materials. Adv Mat. 2019; p. 1904720

Zhang N, Yeo J, Lim Y, Guan P, Zeng K, Hu X, Cheng Y. Tuning the Structure and Function of Monomeric Amyloid Beta Peptide by Curvature of Carbon Nanotubes. Carbon 2019; 153: p. 717-724

Aphinyan S, Ang EYM, Yeo J, Ng TY, Lin R, Liu Z, Geethalakshmi KR. Many-Body Dissipative Particle Dynamics Simulations of Nano-Droplet Formation in 3D Nano-Inkjet Printing. Model Simul Mater Sc. 2019; 27: p. 055005

Zhang N, Cheng Y, Hu X, Yeo J. Towards rational algorithmic design of collagen-based biomaterials through multiscale computational modeling. Curr Opin Chem Eng. 2019; 24: p. 79-87 (Co-corresponding Authors)

Ang EYM, Ng TY, Yeo J, Liu ZS, Geethalakshmi KR. Carbon Nanotube Arrays as Multilayer Transverse Flow Carbon Nanotube Membrane for Efficient Desalination. J Memb Sci. 2019; 581: p. 383-392.

Yeo J*, Jung GS*, Martín-Martínez FJ*, Beem J*, Qin Z, Buehler MJ. Multiscale design of graphyne materials, from atom to structure. Adv Mater. 2019; p. 1805665 (*Contributed equally)

Barreiro DL, Yeo J, Tarakanova A, Martín-Martínez FJ, Buehler MJ. Multiscale modeling of silk and silk-based biomaterials – a review. Macromol Biosci. 2019; 19(3): p. 1800253. Artwork featured on Inside Front Cover.

Williams TL*, Senft SL*, Yeo J*, Martín-Martínez FJ, DiBona CW, Chen C-T, Martin CA, Kuzirian AM, Gomes CM, Rosenthal JC, MacManes MD, Chu F, Buehler MJ, Hanlon RT, Deravi LF. Dynamic Pigmentary and Structural Coloration within Cephalopod Chromatophore Organs. Nat Commun. 2019; 10(1): p. 1004 (*Contributed equally). Featured on: New York Times, News@Northeastern, Marine Biological Lab, Science Daily, MRC LMS Biomedical Picture of the Day.

Leong WS*, Wang H*, Yeo J, Martín-Martínez FJ, Zubair A, Shen P-C, Mao Y, Palacios T, Buehler MJ, Hong J-Y, Kong J. Paraffin-Enabled Graphene Transfer. Nat Commun. 2019; 10(1): p. 867 (*Contributed equally). Featured on: MIT News, Market Business News.

Ang EY, Ng TY, Yeo J, Liu Z, Lin R, Geethalakshmi KR. Effects of oscillating pressure on desalination performance of transverse flow CNT membrane. Desalination. 2019; 451: p. 35-44

Aphinyan S, Ang EYM, Yeo J, Ng TY, Geethalakshmi KR. Numerical Study of Surface Agglomeration of Ultra Violet-Polymeric Ink and Its Control During 3d Nano-Inkjet Printing. J Polym Sci B Polym Phys. 2018; 56(24): p. 1615-1624

Roberts EG, Rim NG, Huang W, Tarakanova A, Yeo J, Buehler MJ, Kaplan DL, Wong JY. Fabrication and characterization of recombinant Silk-Elastin-Like-Protein (SELP) fiber. Macromol Biosci. 2018; 18(12): p. 1800265

Yeo J, Huang W, Tarakanova A, Zhang YW, Kaplan DL, Buehler MJ. Unraveling the Molecular Mechanisms of Thermo-responsive Properties of Silk-Elastin-Like Proteins by Integrating Multiscale Modeling and Experiment. J Mat Chem B. 2018; 6: p. 3727-3734. Featured on: 2018 Journal of Materials Chemistry B HOT Papers.

Yeo J, Jung GS, Martín-Martínez FJ, Ling S, Gu GX, Qin Z, Buehler MJ. Materials-by-Design: Computation, Synthesis, and Characterization from Atoms to Structures. Phys Scr. 2018; 93(5): p. 053003

Yeo J, Jung GS, Tarakanova A, Martín-Martínez FJ, Qin Z, Cheng Y, Zhang YW, Buehler MJ. Multiscale modeling of keratin, collagen, elastin and related human diseases: Perspectives from atomistic to coarse-grained molecular dynamics simulations. Extreme Mechanics Letters. 2018; 20: p. 112-124

Koh LD, Yeo J, Lee YY, Ong QY, Han MY, Tee BCK. Advancing the Frontiers of Silk Fibroin Protein-based Materials for Futuristic Electronics and Clinical Wound-Healing. Mater Sci Eng C. 2018; 86: p. 151-172

Zhu Z, Ling S, Yeo J, Zhao S, Tozzi L, Buehler MJ, Omenetto F, Li C, Kaplan DL. High-strength, durable all-silk fibroin hydrogels with versatile processability toward multi-functional applications. Adv Funct Mater. 2018; p. 1704757

Jung GS, Yeo J, Tian Z, Qin Z, Buehler MJ. Unusually low and density-insensitive thermal conductivity of three-dimensional gyroid graphene. Nanoscale. 2017; 9(36): p. 13477-13484

Cheng Y, Koh LD, Wang F, Li D, Ji B, Yeo J, Guan G, Han MY, Zhang YW. Carbon Nanoscroll-Silk Crystallite Hybrid Structure with Controllable Hydration and Mechanical Properties. Nanoscale. 2017; 9(26): p. 9181-9189

Ang EYM, Ng TY, Yeo J, Lin R, Geethalakshmi KR. Nanoscale Fluid Mechanics Working Principles of Transverse Flow Carbon Nanotube Membrane for Enhanced Desalination. Int J Appl Mech. 2017; 9(3): p. 1750034

Aphinyan S, Geethalakshmi KR, Yeo J, Shakouri A, Ng TY. Numerical characterization of ultraviolet ink fluid agglomeration and the surfactant effect in nanoinkjet printing. Polymer Adv Tech. 2017; 28(9), 1057-1064

Ang EYM, Ng TY, Yeo J, Liu ZS, Geethalakshmi KR. Free-Standing Graphene Slit Membrane For Enhanced Desalination. Carbon. 2016; 110: p. 350-355

Yeo J, Cheng Y, Han YT, Zhang Y, Guan G, Zhang YW. Adsorption and Conformational Evolution of Alpha-Helical BSA Segments on Graphene: A Molecular Dynamics Study. Int J Appl Mech. 2016; 8(2): p. 1650021

Cheng Y, Koh LD, Li D, Ji B, Zhang Y, Yeo J, Guan G, Han MY, Zhang YW. Peptide–Graphene Interactions Enhance the Mechanical Properties of Silk Fibroin. ACS Appl Mater Interfaces. 2015; 7(39): p. 21787–21796

Shakouri A, Yeo J, Ng TY, Liu ZS, Taylor HK. Superlubricity-activated thinning of graphite flakes compressed by hydrogen terminated crystalline silicon substrates for exfoliating single layer graphene: a molecular dynamics study. Carbon. 2014; 80(0): p. 68-74

Yeo J, Ng TY, Liu ZS. Molecular dynamics analysis of the thermal conductivity of graphene and silicene monolayers of different lengths. J Comput Theor Nanos. 2014; 11(8): p. 1790-1796

Lei J, Liu Z, Yeo J, Ng TY. Determination of the Young's Modulus of Silica Aerogel - An Analytical-Numerical Approach. Soft Matter. 2013; 9(47): p. 11367-11373

Yeo J, Ng TY, Liu ZS. Enhanced thermal characterization of silica aerogels through molecular dynamics simulation. Modelling Simul Mater Sci Eng. 2013; 21(7): p. 075004

Ng TY, Yeo J, Liu Z. Molecular dynamics simulation of the thermal conductivity of shorts strips of graphene and silicene: a comparative study. Int J Mech Mater Des. 2013; 9(2): p. 105-114

Yeo J, Liu ZS, Ng TY. Comparing the effects of dispersed Stone–Thrower–Wales defects and double vacancies on the thermal conductivity of graphene nanoribbons. Nanotechnology. 2012; 23(38): p. 385702

Ng TY, Yeo J, Liu ZS. A molecular dynamics study of the thermal conductivity of graphene nanoribbons containing dispersed Stone–Thrower–Wales defects. Carbon. 2012; 50(13): p. 4887-4893

Ng TY, Yeo J, Liu ZS. A molecular dynamics study of the thermal conductivity of nanoporous silica aerogel, obtained through negative pressure rupturing. J Non-Cryst Solids. 2012; 358(11): p. 1350-1355