Clancy Group

(Front Row, Left to Right) Dr. Paulette Clancy, Haili Jia, Yaset “Ace” Acevedo, Jee Won Yang, Emily Cheng, Nikita Sengar

(Middle Row, Left to Right) Jason Liu, Aron Coraor, Andrew Ruttinger, Hsien-Lien “Steve” Huang

(Back Row, Left to Right) Blaire Sorenson, Ryan Heden, Henry Herbol, Mardochee Reveil

[Not shown: Taha Ezzyat, Jingyang Wang, Greg Casee, Oluwaseun “Seun” Romiluyi, Spencer Hong, Divya Sharma, Mia Mishaan, Yuxi “Sarah” Chen, Wang “Leo” Gao, Karthik Balakrishnan, Aaron Chen, Meng Min]

Legacy Group Photos

Principal Investigator


Dr. Paulette Clancy

Samuel W. and M. Diane Bodman Professor in Chemical Engineering
Ph.D. Chemistry, Oxford University, 1977
B.A. Chemistry, University of London, 1974

Address: 362 Olin Hall
Phone: 607-255-7713
Research Interest: Computational studies of crystalline semiconducting materials synthesis, processing and design with a focus on ‘small molecule’ organic semiconductors and beyond-CMOS electronic materials (from graphene to InGaAs and low-k SiCOH).

Graduate Research Associates

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Yaset “Ace” Acevedo

M.Eng.Sc Sustainable Energy, University College Cork, Ireland, 2013
B.S. Chemical Engineering, University of Notre Dame, 2012

Research Interest: Optimization of covalent organic frameworks for the use in solar cells using coarse grained molecular dynamics and temperature accelerated dynamics.

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Greg Casee

B.S. Chemical Engineering, Lehigh University, 2017

Research Interest: Fabrication of single crystal quantum dot solids by modelling epitaxial bond formation and structure processing.


Taha Ezzyat

B.S Mathematics, B.A Chemistry, University of Chicago, 2014

Research Interest: I study charge transport in hybrid organic-inorganic perovskites for application in optoelectronic devices.

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Ryan Heden

B.S. Chemical Engineering, Rensselaer Polytechnic Institute, 2014
M.S. Chemical Engineering, Cornell University, 2018

Research Interest: Modelling and prediction of charge transfer and fluorescence quenching for the purpose of trace explosives detection.

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Henry Herbol

M.S. Materials Science and Engineering, Cornell University, 2017
B.S. Nanoscale Science and Mathematics, SUNY Albany, 2014

Research Interest: Focus geared towards the boundary of optimization and computational materials science. Emphasis on the study of Perovskites via the development and use of a Simple Molecular Reactive Force Field (SMRFF), as well as rapidly searching the Perovskite compositional search space with Bayesian Optimization methods.

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Mardochee Reveil

M.S. Chemical Engineering, Syracuse University
B.S. Chemistry, Universite d’Etat d’Haiti

Research Interest: Advanced method and algorithm development (Machine Learning, Monte Carlo and Optimization methods) with applications in the modeling of defects and diffusion processes in III-V semiconductors.

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Oluwaseun “Seun” Romiluyi

B.Eng. Chemical Engineering, McMaster University, Canada, 2017

Research Interest: Hybrid Organic-Inorganic Perovskites (HOIPs) are materials utilized in solar energy initiatives, boasting a theoretical solar cell efficiency of 22%. I am currently investigating the stability of solution-processed HOIPs materials, and I am also interested in determining the influence inorganic layering has on the elastic properties of 2D HOIPs.

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Andrew Ruttinger

BESc Chemical Engineering, University of Western Ontario, Canada, 2016

Research Interest: My research has led me to redefine the analysis of reaction barriers by developing a method for uncovering the reaction landscape of a mechanism. This is applied to my thesis work as I model the atomistic aspects of the organic Michael addition reaction for the design of advanced therapeutic oligomers towards antibacterial drug discovery and controlled delivery. My main focus is to develop a predictive model on the kinetics of this oligomer assembly for a systematic approach to drug development.

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Nikita Sengar

M.S. Chemical Engineering, Cornell University, 2016
B.E. Chemical Engineering, BITS Pilani, Pilani Campus, India, 2014

Research Interest: Integrating Bayesian Machine Learning with Molecular Dynamics to expedite material discovery for next generation Organic Semiconductors with applications in fabricating low cost, high efficiency, lightweight, and portable solar cell devices, and thin film transistors.

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Blaire Sorenson

M.S. Chemical Engineering, Cornell University, 2017
M.Eng. Chemical Engineering, Cornell University, 2015
B.S. Chemistry, Mathematics, Physics, Northeastern Illinois University, 2014

Research Interest: Solution processing of Hybrid Organic-Inorganic Perovskites for photovolatic applications. Nucleation, growth, and crystallization.

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Jingyang Wang

M.S. Applied Physics, Cornell University, 2016
B.A. Physics, Mathematics, Cornell University, 2013

Research Interest: Computational design of next-generation semiconductor materials (III-V); specifically, by studying electrical and thermodynamic properties of defects in InGaAs.

Masters Research Associates


Karthik Balakrishnan

B.S. Chemical/Bio Engineering, University of Illinois at Urbana–Champaign, 2016

Research Interest: Study of solvent etching patterns on Co/Pt systems.

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Aaron Chen

B.S. Chemical Engineering, University of California, San Diego, 2017

Research Interest: Crystal morphology of organic conductor for thin-film transistor in organic solvents.


Wang “Leo” Gao

B.S. Materials Physics, Fudan University, 2017

Research Interest: Physical Analytics PipeLine (PAL) and Simple Molecular Reactive Force Field (SMRFF).

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Hsien-Lien “Steve” Huang

M.S Chemical Engineering, Cornell University, 2018 (expected)
M.Eng. Chemical Engineering, Cornell University, 2016
B.S. Chemical Engineering, National Chung Hsing University, 2012

Research Interest: I am interested in power electronics device, semiconductor defect chemistry, III-V material processing and characterization, micro & nanofabrication. I conducted simulation research toward dopant diffusion mechanism of indium (In), arsenide (As) and silicon (Si) atoms in InAs bulk system. I also researched the dopant activation of InGaAs and gallium nitride (GaN) following laser spike annealing (LSA) technique. To have a comprehensive understanding of LSA on III-V materials, I also engaged in Thermoreflectance Spectroscopy design and setup for thermal characterization of III-V devices.

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Haili Jia

B.S. Chemical Engineering, Rutgers University, 2016

Research Interest: Ab-initio modeling of vacancies and dopants in random III-V materials.


Meng Min

B.A. Chemistry, Grinnell College, 2017

Research Interest: Using DFT to calculate the minimum energy pathway for demetalation of three-dimensional covalent organic framework (COF-505) and exploring its potential applications.

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Divya Sharma

B.Tech, Chemical Engineering, Indian Institute of Technology Bombay, 2017

Research Interest: Model the interaction of anti-microbial peptides with microbial cells. The target is to make sure that the peptides have more of an affinity towards microbes than mammalian cells.

Undergraduate Researchers

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Yuxi “Sarah” Chen

B.S. Chemical Engineering, Cornell University, 2019 (expected)

Research Interest: Optimizing solvent parameters with CANDLE solvation model using Joint Density Functional Theory (JDFTx).

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Emily Cheng

M.Eng. Materials Engineering, Cornell University, Dec 2018 (expected)
B.S. Chemical Engineering, Cornell University, 2018 (expected)

Research Interest: Fabrication of devices and characterization using laser annealing of III-V nitrides and other novel materials for improved computational processing and application in extreme conditions.

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Spencer Hong

B.Eng. Chemical Engineering, Cornell University, 2020 (expected)

Research Interest: Modeling the Solution-Processing Stage of Hybrid Organic-Inorganic Perovskites to control Crystallization and Thin-Film Formation.


Jason Liu

B.S. Chemical Engineering, Cornell University, 2019 (expected)

Research Interest: Modeling the solvation of hybrid organic-inorganic perovskites for use in Bayesian optimization methods to find an optimized composition for solar cells.

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Mia Mishaan

B.S. Chemical Engineering, Cornell University, 2019 (expected)

Research Interest: Investigation of solvent effect on the formation of various iodo-plumbic species and use of Time-Dependent Density Functional Theory (TDDFT) for absorption spectroscopy.