Current Team/Alumni – The Tsige Lab

Current Members

	Javad Tamnanloo PhD Student, 2022 - present Machine-learning approaches for property and (bio)activity prediction of polymers, Diffusion in polymers Extracurricular interests include: hiking and rock climbing, watching movies and documentaries, and reading all sorts of books
	Farzad Toiserkani PhD student 2022- Present. Molecular Dynamics simulations of self-assembly of amphiphilic molecules, influence of molecular architecture and environment, Bead-spring coarse-grained simulations for mesoscale behavior and kinetics Extracurricular activities: Hiking, Mountaineering, cycling, Swimming.
	Hansini Abeysinghe PhD student 2022- Present. Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations to investigate PFAS adsorption on biochar-supported single-atom metal catalysts; DFT-based catalytic design for polymer synthesis. Extracurricular activities: Hiking, Reading books, watching movies, and listening to music
	Johan Fernando PhD Student (co-advised by Prof. James Eagan), 2024 - present Computational polymer science, focusing on molecular dynamics simulations to investigate polymer synthesis, glass transition behavior, and cross-linking mechanisms; development and automation of simulation workflows for understanding structure–property relationships in polymeric materials. Extracurricular interests: Cricket, watching TV series, playing guitar, hiking.
	Charles Cordts PhD Student (co-advised by Prof. Dhinojwala) 2024 - present Interfacial mechanics in polymer nanocomposites, focusing on the dispersion and adhesion behavior of carbon nanotubes in rubber matrices to improve tensile strength and modulus; application of molecular dynamics simulations to analyze nanotube–polymer interactions and inform experimental design. Extracurricular activities: Cello, woodworking, board gaming
	QiShun Xu AMP student 2024-present The structure and dynamics of polymers at liquid/liquid interfaces.
	Haoliu Chen Master's Degree Student 2024-present Molecular dynamics simulations of topologically complex polymers at immiscible interfaces and investigations of how architectural and stiffness variations influence the equilibrium morphologies of block copolymers. Extracurricular activities: go kart racing, hiking, scenic traveling.
	Nahom Solomon STEM Magnet Program 2025-present Machine learning approaches and data analysis to investigate adsorption behavior of per- and polyfluoroalkyl substances (PFAS) on carbon-based surfaces; computational exploration to support remediation strategies. Extracurricular activities: Basketball, performance pianist and multi-instrumentalist, and reading.
	Diksha Aswal Graduate Researcher, 2025 - present Machine-learning and data-driven modeling of small molecules and polymers, with a focus on elucidating structure–property relationships. Extracurricular activities: Cooking, practicing classical Indian dance (Kathak), reading books, staying physically active, and watching movies/TV series. LinkedIn

Alumni

	Abdol Hadi Mokarizadeh PhD Student, 2019 - 2025 Hadi's research spans a broad range of topics from the molecular behavior of biopolymers to the interactions of water at interfaces, with his Ph.D. thesis centered on elucidating the wetting properties of surfaces through advanced molecular simulations. Currently Postdoc at The University of Houston
	Hao Guo PhD Student 2018-2023 Catalyst discovery and design; application of artificial neural network (ANN) and machine learning (ML) for catalytic design using an atomistic simulation environment (ASE); current research approaches catalysis as a complex, multidimensional and multiscale field of research Extracurricular interests include: reading, badminton, baroque and classical music, cooking Currently Postdoc at Duke University
	Kun Qian PhD Student (initially AMP, 2017 - 2019), 2019 - 2023 Simulation of the behavior of different macroions in solution; effect of different parameters on the self-assembly of macroions Extracurricular interests include: dancing
	Alankar Rastogi PhD Student (co-advised by Prof. Ali Dhinojwala), 2012-2017 Interfacial phenomena at PMMA-liquid and PMMA-sapphire interfaces at varied bulk concentrations; novel approaches in surface tension calculation for liquids with special emphasis on alkanes; research tools: Molecular Dynamics (MD) and ab-initio simulations, and Sum-Frequency Generation Vibrational Spectroscopy (SFG)
	Nityanshu Kumar PhD Student, 2017 – 2022 Prediction, via simulation techniques, of important coating properties such as surface free energy, interaction energy, and contact angles; hollow glass microsphere- and bamboo fiber-polymer hybrids for light weight and high strength applications Currently at E Ink Corporation, MA
	Jiuke Chen Graduate Research Assistant (AMP), 2019 - 2021 Previous research: Aging behavior of BIIR; hydrogel based molybdenum disulfide nano-sheets Currently PhD student at ETH Zürich and Empa, Switzerland
	Siteng Zhang Graduate Research Assistant (AMP), 2019 - 2021 Simulation of surface behavior in polymers, characterization Extracurricular interests include: soccer, fitness Currently PhD student at University of South Carolina, Columbia, SC
	Zifeng Wang Graduate Research Assistant (AMP), 2019 - 2021 Simulation, FEA Extracurricular interests include: video, fishing, and dynamic music Currently PhD student at Georgia Institute of Technology, GA
	Yuanhao Zhang Graduate Research Assistant (AMP), 2018 - 2021 Currently a PhD student at Ohio State University
	Gary Leuty MS then PhD, 2008 - 2014 Adsorption and surface structure characteristics in bottle brush polymers; structure and dynamics of fluoromethane films Currently at LinQuest, Dayton, OH
	Jiayuan Miao Physics Department, Case Western Reserve University (co-advised by Prof. Philip Taylor) PhD Student, 2012-2017 Design of polymer dielectrics, Molecular Dynamics (MD) simulation of relaxation in stretched PVDF nanofibers, theoretical unification of Fickian and non-Fickean diffusions Currently a Postdoctoral Research Associate at Tufts University, Medford, MA
	Selemon Bekele PhD Student, 2013 – 2019 Wetting of polymeric thin films by water droplets; instantaneous surface-sensitive analyses of temperature-dependent structural and dynamical properties at polymer film surfaces; assessment of ordering at thin film-water interfaces with the help of hydrogen bond dynamics for biocompatible design of adhesive polymeric materials Currently a Research Scientist at Air Force Research Laboratory, Dayton, OH
	Arvind Modi Department of Polymer Engineering, (co-advised by Prof. Alamgir Karim) PhD Student, 2010 – 2016 Novel approaches in understanding ordering and the morphological evolution in solvent swollen thin BCP films: how solvent quality influences interfacial and polymer chain properties, and how substrate, on the other hand, affects preferential segregation and nanodomain alignment Currently an R&D Engineer at Intel, Portland, OR
	Zijun Lu Physics Department, Case Western Reserve University, Cleveland, OH (co-advised by Prof. Philip Taylor) PhD Student, 2013 - 2019 Alternatives computational techniques to conventional diffusion and thermal expansion analyses; glass transition temperature prediction from short-time simulations via cage-softening and dynamic heterogeneity calculations Currently a Machine Learning Engineer at Umeng+
	Yeneneh Y. Yimer PhD Student, 2010 - 2014 Atomic-level molecular dynamic simulations of conjugated polymers; force field development; high accuracy structural prediction via coarse-grained simulations Currently Principal Engineer Artificial Intelligence & Machine Learning at Starbucks
	Zhuonan Liu PhD Student, 2012 – 2017 Macroions: dynamic translocation process of countercations around hybrid anionic clusters; self-assembly and interaction in polar solvents; polymer glasses: origin, chain network, and behavior of ductility in polymer glasses Currently Senior Predictive Engineer at 3M, Saint Paul, MN
	Ram Bhatta Postdoctoral Research Associate, 2013 - 2016 High performance computational studies of small molecule and macromolecule interactions, with application in areas such as polymer solar cells Currently Lecturer, Texas A&M University, San Antonio
	Natalia B. Shenogina Postdoctoral Research Associate, 2010-2012 Behavior prediction, and elastic and structural property determination of thermoset polymers and polymer networks Currently at Wright State University, Dayton, OH
	Zhe Zhao Graduate Research Assistant (AMP), 2017 – 2019 Macroion research: effect of macroion size, charge density and distribution on self-assembly of macroions Extracurricular interests include: listening to all kinds of music, reading
	Iskinder Arsano PhD Student, 2015 – 2020 Nanotechnological alternatives to water filtration using differently-functionalized carbon nanotubes; atomistic simulations of novel asphaltic materials; computational polymer scientific implementation in the study of Early Earth primitive polymers Fascinated in: smooth jazz, blues, bati Currently a Research Fellow at FDA, MD
	Ali Abu-Nada M.S. student, 2009-2011 Applied Physics - Southern Illinois University Carbondale (SIUC), IL Adsorption of Methane and Propane on a LJ Wall and on Molybdenum Surface: A Simulation Study Currently Assistant Professor of Physics and Head of Department, Isra University, Amman, Jordan
	Solomon Negash Physics Department, Addis Ababa University, Ethiopia (co-advised by Prof. Tatek Yergou) PhD Student, 2012 – 2017 Substrate-dependent effect of tacticity on the structure and glass transition temperature of adsorbed polystyrene (PS) thin films Currently Assistant Professor at Jimma University, Ethiopia
	Kshitij C. Jha Postdoctoral Research Associate, 2012 – 2014 Effect of tacticity and temperature on the surface structure of polymer – vacuum interfaces, thermal and mechanical properties of elastomers; relationship between interfacial water structure and the physico-chemical aspects of ice accretion Currently CEO at BienaTech, Canada
	Chiranjivi Lamsal M.S. student, 2008-2010 Applied Physics - Southern Illinois University Carbondale (SIUC), IL Simulation of the halomethanes structures on graphite and silica substrates Currently Associate Professor at State University of New York at Plattsburgh, NY
	Yexin Zheng PhD Student (co-advised by Prof. Shi-Qing Wang; initially AMP), 2014 – 2019 Experimental and simulation methods to understand the molecular origin of the nonlinear rheological behavior of polymer melts; investigation of the chain-network effect of polymer glasses under deformation using both experiments and molecular dynamics simulation with emphasis on the brittle-ductile transition phenomenon Currently an Associate Scientist at BASF, Shanghai, China
	Saeed Akbari Graduate Research Assistant, 2016 – 2018 Computationally driven design and characterization of homocatenanes and diblock catenanes in solutions and interfaces; particularly uses all-atom MD simulation to give the most accurate characterization of the effects of molecular weight, solvent(s), surfaces and interfaces on the structure and dynamics of catenanes Extracurricular interests include: swimming, drawing and reading nonscientific books Currently a Postdoctoral Researcher at Arizona State University, AZ
	Xiaoxiao Li PhD Student (co-advised by Prof. Shi-Qing Wang), 2013 – 2017 Experimental and simulation studies to understand the molecular origin of mechanical stress in ductile deformation of polymer glasses; high and low molecular weight polymer glasses with respect to large and inhomogeneity-inducing deformations Currently a Senior Product Engineer at Johns Manville, CO