Research Group Members

Prof. Yaroslava (Yara) G. Yingling

Kobe Steel Distinguished Professor of Materials Science and Engineering and University Faculty Fellow; Director of Undergraduate Program; Associate Department Head for Scholarship and Education; Director of Graduate Certificate in Materials Informatics

Editor-in-Chief of Materials Informatics and Data Science 

> Short Bio

Yaroslava G. Yingling is a Kobe Steel Distinguished Professor of Materials Science and Engineering at North Carolina State University, USA. She received a University Diploma in Computer Science and Engineering from St. Petersburg State Technical University of Russia in 1996 and a Ph.D. in Materials Engineering and High-Performance Computing from Pennsylvania State University in 2002. She carried out postdoctoral research at Penn State University Chemistry Department and the National Institutes of Health National Cancer Institute before joining North Carolina State University in 2007. She received the National Science Foundation CAREER award, American Chemical Society Open Eye Young Investigator Award, NC State Alumni Association Outstanding Research Award, and was named an NCSU University Faculty Scholar and was inducted into the NC State Research Leadership Academy.

> Contact Prof. Yingling

Phone: +1(919) 513 2624
Emailyara_yingling@ncsu.edu
Office: 3014 Engineering Building I, 911 Partners Way, Raleigh, NC 27695, USA
Complete Shipping Information 


Prof. Albert L. Kwansa

Research Assistant Professor of Materials Science and Engineering

> Short Bio

He earned a B.S. in Biomedical Engineering from the University of Wisconsin-Madison. He then earned a Ph.D. from the Virginia Tech-Wake Forest School of Biomedical Engineering and Sciences (Blacksburg, VA campus), while advised by Prof. Joseph Freeman and Prof. Raffaella De Vita. He is currently a research faculty member in the MSE dept. at NC State involved with research (Yingling Group) and teaching (MSE 500).

> Contact Prof. Kwansa

Emailalkwansa@ncsu.edu

Research Projects: Molecular dynamics simulations and electronic structure calculations involving polymers and chemical additives, cellulose and cellulose synthases, and reflectin proteins

Prof. Alexey Gulyuk

Teaching Assistant Professor of Materials Science and Engineering

> Bio

He received his B.S. in Engineering Physics from the Belarusian State University in Minsk, Belarus, his M.S. in Physics from NC Central University, and a Ph.D. in Materials Science and Engineering from NC State University. He is a part of the NSF STC Science and Technologies for Phosphorus Sustainability (STEPS) Center at NC State University. Prior to joining the NC State faculty, he worked as a postdoctoral researcher in the Yingling’s Lab at the NC State University. Presently, he serves as a faculty member in the MSE department at NC State with various research projects in Yingling Group and education (MSE 201, MSE 255, MSE 335, MSE 490).

> Contact Prof. Gulyuk

Emailagulyuk@ncsu.edu

Research Projects: Convergence Informatics and Data-science approaches for materials design

Dr. Quanpeng (Sam) Yang

Postdoctoral Fellow of Materials Science and Engineering

> Bio

He received his Ph.D. in Mechanical Engineering at the University of California, Merced. He then worked as a postdoctoral associate in the Department of Mechanical Engineering and Materials Science at Duke University. His research has been focusing on applying computational methods to solve mechanical engineering and materials science problems.

> Contact Dr. Yang

Email: qyang27@ncsu.edu

Research Projects: Science and Technologies for Phosphorus Sustainability (STEPS) Center projects, including molecular dynamics simulations for phosphorous adsorption and convergence informatics

Thomas (Tad) Deaton

Ph.D. Candidate in Materials Science and Engineering

Currently Engineering Leat at Mayin Consulting Inc. 

> Bio

B.S., West Virginia Wesleyan College, 2004
B.S. Biomedical Engineering, East Carolina University, 2012
M.NE., North Carolina State University, 2014

> Contact

Email: tadeaton@ncsu.edu

Research Projects: Molecular modeling of self-assembly of responsive materials, developing methods to model DNA and RNA self-assembly on a larger scale.

Sergei Rigin

Graduate Student in Materials Science and Engineering

> Bio

Sergei earned his B.S. and M.S. in Laser Technologies from ITMO University (Saint Petersburg, Russia) and an additional M.S. in Chemistry from New Mexico Highlands University (Las Vegas, New Mexico, USA). Before joining the Yingling Group, he worked on the laser annealing of fiber Bragg gratings, as well as crystal growth and single-crystal X-ray diffraction analysis of charge-transfer complexes, perovskites, and metal-organic frameworks (MOFs). Sergei is currently pursuing a Ph.D. in Material Science, with his research focused on Molecular Dynamics Simulations of Nanoparticle-embedded polymer brushes for Phosphorus Recovery.

> Contact

Emailsrigin@ncsu.edu

Research Projects: Molecular Dynamics Simulations of Nanoparticle-embedded Polymer Brushes

Sabila Kader Pinky

Ph.D. Candidate in Materials Science and Engineering

> Bio

She received her M.Sc. in Materials Science from Missouri State University (MO, USA) in 2019. She earned her B.Sc. in Materials and Metallurical Engineering from Banfladesh University of Engineering & Technology (Dhaka, Bangladesh) in 2014. During her M.Sc. she worked on the creep deformation of Ni-based superalloy using molecular dynamics simulation. She is interested in multiscale modeling and simulation of biomaterials and in material informatics.

> Contact

Emailspinky@ncsu.edu

Research Projects: Self-assembly of peptide-polymer amphiphile using all-atom molecular dynamics simulation

Andrew Hans Cannon

Graduate Student in Materials Science and Engineering

> Bio

He recieved his B.S. and M.S. in Materials Science and Engineering from NC State, and is currently pursuing a Ph.D. in Materials Science and Engineering. His research in the Yingling Group revolves around studying phosphate-binding proteins as well as predicting the optical properties of systems of self-assembling intrinsically disordered proteins.

> Contact

Emailahcannon@ncsu.edu

Research Projects: Molecular dynamics simulations of peptide-based materials such as phosphate-binding proteins and reflectin proteins, as well as prediction of their mechanical and optical properties.

Merve Fedai

Graduate Student in Materials Science and Engineering

> Bio

She earned her Bachelor of Science in 2021 and her Master of Science in 2023, both in Materials Science and Engineering, from North Carolina State University. Joining the team as an undergraduate researcher in 2019, she has since focused on the computational modeling and simulation of biomaterials, including cellulose nanocrystals and carbonic anhydrases.

> Contact

Emailmfedai@ncsu.edu

Research Projects: Molecular modeling of cellulose-based materials and modification of carbonic anhydrases for environmental remediation.

Christina Vilchez (Bayard)

Graduate Student in Materials Science and Engineering

> Bio

She received her B.S. in Mechanical and Energy Engineering from the Univeristy of North Texas in 2022. She is currently pursuing a Ph.D. in Materials Science and Engineering and her research is focused on computational study and design of nucleic acid nanoparticle supramolecular assemblies.

> Contact

Emailcvilche@ncsu.edu

Research Projects: Molecular dynamics simulations of nucleic acid nanoparticles and their supramolecular assemblies

Abishec Sundar Senthilvel

Graduate Student in Materials Science and Engineering

> Bio

Currently pursuing his Ph.D. in Materials Science and Engineering department with the Yingling Group at North Carolina State University (North Carolina, USA). He received his Master of Nanoengineering with a concentration in Biomedical Sciences in Nanoengineering from the Materials Science and Engineering department at North Carolina State University (North Carolina, USA) in 2023 and B.E. in Mechanical Engineering from Anna Univeristy (Tamil Nadu, India) in 2020.

> Contact

Emailasenthi5@ncsu.edu

Research Projects: Modeling of Organized Nanochannel Materials from Biomolecular Magnetic Organic Frameworks

Michael Kirsch

Graduate Student in Chemistry

> Bio

Mike received his B.S. in Biochemistry along with a Minor in Mathematics from SUNY Oswego in 2020. His reseach at Oswego involved determining the function of proteins on unknown function under the guidance of Dr. Julia Koeppe.

> Contact

Emailmpkirsch@ncsu.edu

Research Projects: Molecular modeling of cellulose synthase proteins and cellulose materials

Patrick Hogsed

Graduate Student in Chemistry

> Bio

He earned his Master of Science in Comprehensive Chemistry from Western Carolina University (2019-2021), where he was mentored by Dr. Channa De Silva, an associate professor in bioinorganic chemistry. His foundational education in chemistry was attained at Young Harris College, where he completed his Bachelor of Science (2016-2019). This academic path highlights Patrick’s deep engagement with and commitment to the field of Chemistry.

> Contact

Emailpbhogsed@ncsu.edu

Research Projects: Phosphorus binding protein (PBP) molecular dynamics simulations for phosphate specificity

Sahil Kamlesh Changlani

Graduate Student in Computer Science

> Bio

He received his Bachelor of Technology from KJ Somaiya College of Engineering, Vidyavihar, India

> Contact

Email: schangl@ncsu.edu

Research Projects: Designing a knowledge hub for materials for phosphorous sustainability

Undergraduate Research Assistants

Siri Mudunuri

Undergraduate student in Computer Science

Research Project: Machine Learning Assisted Characterization and Analysis of Material Properties

Joshua McClure

Undergraduate student in Materials Science and Engineering

Research Project: Molecular dynamics simulations of nucleic acid structures

Tori Crunkleton

Undergraduate student in Materials Science and Engineering

Research Project: Molecular dynamics simulations of peptide-based materials

Anne Chabaneix

Undergraduate student in Materials Science and Engineering

Research Project: Diffusion of antioxidants in tire materials

Visitors

10/2017 Prof. Kristin D. Krantzman, College of Charleston, SC
08/2015 Dr. Barry L. Farmer


ALUMNI

Graduate Students:

08/2016-04/2023      (Ph.D. 04/2023) Akhlak Ul Mahmood, Physics, B. S. University of Dhaka, Bangladesh, 2016; now postdoc at Georgia Tech
05/2017-09/2021 (PhD. 06/2021) Thomas Oweida, B. S. NC State University, 2017, now Principle System Engineer at Northrop Grumman
08/2014-07/2019 (Ph.D. 06/2019) Yuxin Xie, B.S. Central South University, 2013, now Data Scientist at AXB Bio
08/2014-03/2019 (Ph.D. 03/2019) James Peerless, B.S. Northeastern University 2012, now Product Manager, Artificial Intelligence at Citrine Informatics
08/2012-06/2017 (Ph.D. 06/2017) Jessica Nash, B. S. UNC-CH 2012, (NSF Fellowship, 2013-2016), now a Software Scientist at MolSSI
08/2012-06/2017 (Ph.D. 06/2017) Ho Shin Kim, M. S. Inha University, 2012 (ACS graduate Research Award); now a Staff Scientist at PNNL
08/2011-05/2016 (Ph.D. 05/2016) Nan K. Li, M. S. Jillin University, 2011 (ACS, MRS, AIChE graduate student research awards); now a Senior Data Scientist at Johnson & Johnson
01/2009- 05/2013 (Ph.D. 05/2013) Latsavongsakda Sethaphong, B. A. Harvard University, M. S. Vanderbilt University, 2008; now HPC Lead Platform Engineer (Artificial Intelligence / Machine Learning) at General Motors
08/2009- 10/2012 (Ph.D. 12/2012) Rakhee Pani, M. S. Indian Institute of Technology, 2008; now Instructor/Lecturer at Clemson University, SC.
01/2008- 6/2012 (Ph.D. 8/2012) Abhishek Singh, M. S. Michigan State University, 2007; now Scientist at BASF
01/2011- 05/2012 (M.A. 2012) Hamed Eksiri, M.A. Materials Science and Engineering; now a Senior Technical Product Manager at Chevron

Postdoctoral Associates:

09/2014-01/2021 Dr. Abhishek Singh , Ph.D. 2012 from NCSU, now Scientist at BASF
08/2012-present Dr. Ho Shin Kim, Ph.D. 2017 from NCSU; now a Staff Scientist at PNNL
9/2015-8/2016 Dr. Sanket Deshmukh, PhD 2010 from UDublin; now an Associate Professor at Virginia Tech.
12/2012-9/2015 Dr. Rakhee Pani, PhD 2012 from NCSU; now an Instructor at Clemson University
7/2013-7/2015 Dr. Jung-Goo Lee, PhD 1985 from University of Texas; now in Korea
1/2013-7/2013 Dr. Sergei Y. Ponomarev; now a High Performance Systems Integrator at Worcester Polytechnic Institute, MA
10/2007-11/2008 Dr. Andrey Semichaevsky; now an Associate Professor at Lincoln University, PA
1/2009-12/2009 Dr. Stacy Snyder; now a Crystal Growth Process Engineer at II-IV Incorporated, PA.

Visiting Graduate Students:

10/2018-10/2019      Haolong Xue, Jiangnan University, China
03/2013-04/2014      Doyoung Eom, Inha University, Korea
Research Assistant:
2016-2021 Matthew Manning, MSE, NCSU
2018-2020 Nina Milliken, MSE, NCSU
2016-2017 Kudiyar Orazymbetov; now Data Scientist at Blue Cross Blue Shield, NC
2009-2010 Ganesh Krishnan; now an Engineer at FormFactor, San Francisco, CA

Undergraduate students:

2023 REU Carolina Cunningham, UNC CH
2022 Grant Blankenberger, MSE, NCSU
2021-2022 Harry Antoniades, MSE, NCSU
2021-2022 Patrick Sullivan, MSE, NCSU
2022 Sarthak Mehta, Biochemistry, NCSU
2022 Trey Tolston, MSE, NCSU
2022 REU Brooklynn Blackwell, Howard University
2019-2022 Justin Williams, CHE, NCSU, now Exxon Mobil
2020-2022 Tiernan Baucom, MSE, NCSU, now Grad Student at U Mich
2021-2022 Mitch Hayes, MSE, NCSU, now at Wolfspeed
2018-2021 Merve Fedai, MSE, NCSU, now grad student at NCSU
2019-2020 Jonathan Wendrock, MSE, NCSU
2019-2021 Ibrahim Ahmad, MSE, NCSU, now at Amazon
2019-2020 Johnny Donald, MSE, NCSU
2018-2019 Kevin Kronk, MSE, NCSU
2018-2019 Branden Hawkins, MSE, NCSU
2017-2018 Devin Junkins, MSE, NCSU
2018 REU Amani Reed, UNC-CH
2016-2018 Lukas Harries, Biochemistry, Vassar College
2016-2017 John Johnson, Chemistry, NCSU
2016-2017 Nathan Brown, Chemistry, NCSU, now graduate student at NCSU
2016-2017 Graham Gatwood, Engineering, NCSU
2015-2017 Thomas Oweida, MSE, NCSU, now graduate student at NCSU
2015-2017 Benjamin Peterson, MSE, NCSU, now graduate student at Penn State University
2016 REU Leo Sutter, Physics and Biomedical Engineering, Rochester Institute of Technology, NY
2013-2016 William H. Fuss, Computer Science and MSE, NCSU, now at Broadband Inc.
2014-2016 Danielle Stallings, MSE, NCSU
2015- 2016 Graham Bowers, AROSPACE, NCSU
2015 Lauryn Flynn, Materials Science and Engineering, NCSU
2014 William Therriault, REU student from Durham Tech Community College
2013-2014 Sabrina Huang, Materials Science and Engineering, NCSU, now PhD student at Purdue University
2014 REU Micheal Tarver, REU student from Texas State University, now graduate student at Ohio State
2013 Daniel Richter, Materials Science and Engineering, NCSU
2013-2014 Tasha Tucker, Chemical and Biomolecular Engineering, NCSU
2013 REU Jeremy Loffredo, Engineering Program, University of Virginia, VA
2013 REU Trisha Dupnock, Chemistry Department, Clarkson University, NY, now PhD student at Duke University
2012-2013 Joshua Amick, Chemical and Biomolecular Engineering, NCSU
2011-2012 Joshua McKenney, Materials Science and Engineering, NCSU
2012 REU Ramyata Upmaka, Department of Materials Science and Engineering and Biomedical Engineering, Carnegie Mellon University, PA, now PhD student at Rutgers University
2011-2012 Michael Williams, Materials Science and Engineering, NCSU
2010-2011 Benjamin Bond, Nuclear Engineering, NCSU
2010-2011 Andrew Veasey, Biochemistry, NCSU
2009-2011 Andy Vargas, Materials Science and Engineering, NCSU; now PhD student at UC Berkley
2007-2010 Ashley Marlowe, Materials Science and Engineering, NCSU
2009-2010 Evan Keresi, Materials Science and Engineering, NCSU
2008-2010 Garik Sadovy, Materials Science and Engineering, NCSU
2010 Habtom Amde, Chemical Engineering, NCSU