MSI Research Exhibition 2017 – Physical Sciences and Engineering Posters

The titles for the posters submitted in the Physical Sciences and Engineering category for the 2017 MSI Research Exhibition are listed are shown below. See posters in the Biological and Medical Sciences category

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Physical Sciences and Engineering

A Computational Model to Assess the Impact of Collagen Fiber Structure and Loading on the Deformation of Nerve Fibers in Innervated Collagenous Tissue
Authors: Vahhab Zarei, Sijia Zhang, Weston Fiebeger, Beth A. Winkelstein, Victor H. Barocas
MSI Principal Investigator: Victor Barocas (Biomedical Engineering)

A Monte Carlo Simulation Study of Water/Oil Interfacial Tension at Elevated Temperatures and Pressures
Authors: Jingyi L. Chen, Bai Xue, David B. Harwood, Qile P. Chen, Cornelis J. Peters, J. Ilja Siepmann
MSI Principal Investigator: J. Ilja Siepmann (Chemistry and Chemical Engineering)

A Multilevel Low-Rank Preconditioner for Indefinite Linear Systems
Authors: Geoffrey Dillon, Yuanxhe Xi, Yousef Saad
MSI Principal Investigator: Yousef Saad (Computer Science and Engineering)

Active Space Selection for MC-PDFT and CASPT2 Calculation of Singlet-Triplet Gaps in Diradical Organic Molecules
Authors: Samuel J. Stoneburner, Jun Shen, Adeayo O. Ajala, Piotr Piecuch, Don Truhlar, Laura Gagliardi
MSI Principal Investigator: Laura Gagliardi (Chemistry)

Computation of Multiphase Breakup With a Lagrangian Volume of Fluid: Toward High-Fidelity and Affordable Simulation of Primary Atomization
Authors: Everett A. Wenzel and Sean C. Garrick
MSI Principal Investigator: Sean Garrick (Mechanical Engineering)

Computational Discovery of New Materials and Processes for Industrial Separations
Authors: Mansi S. Shah, Michael Tsapatsis, J. Ilja Siepmann
MSI Principal Investigator: J. Ilja Siepmann (Chemistry)

Computational Investigation of Ethylene Dimerization and Hydrogenation on Iridium Deposited NU-1000 and UiO-66
Authors: Hakan Demir, Christopher J. Cramer, Laura Gagliardi
MSI Principal Investigator: Laura Gagliardi (Chemistry)

Computationally Guided Structural Nanomaterials Design
Authors: Yuezhou Wang, Jihong Al-Ghalith, Hao Xu, Grigory Drozdov, Traian Dumitrica
MSI Principal Investigator: Traian Dumitrică (Mechanical Engineering)

Creating Better Platform for Catalysis: The Synthesis of Less Defective Metal-Organic Framework NU-1000
Authors: Wei-Guang Liu, Donald G. Truhlar
MSI Principal Investigator: Donald G. Truhlar (Chemistry)

Cucheb: A GPU Implementation of the Filtered Lanczos Procedure
Authors: Vassilis Kalantzis, Jared L. Aurentz, Yousef Saad
MSI Principal Investigator: Yousef Saad (Computer Science and Engineering)

Endwall Aerodynamics and Heat Transfer in a Gas Turbine Nozzle Guide Vane With Slot Film Cooling
Authors: Mahmood H. Alqefl, Terrence W. Simon
MSI Principal Investigator: Terrence W. Simon (Mechanical Engineering)

Equilibrium Statistics of Vortex Filaments and the Pivot Algorithm
Authors: Aleksandr Lukanen, Pavel Belik
MSI Principal Investigator: Doug Dokken (Mathematics)

Evaluation of Inductance and AC Resistance of High Frequency Transformers and Inductors Using Finite Element Analysis
Authors: Kartik Iyer, Ned Mohan
MSI Principal Investigator: Ned Mohan (Electrical and Computer Engineering)

Excited State Absorption From Real-Time Time-Dependent Density Functional Theory Simulations: Predicting Molecular Optical Response by Excited State Density Propagation
Authors: David N. Bowman, Jason C. Asher, Sean A. Fischer, Niranjan Govind, Christopher J. Cramer
MSI Principal Investigator: Christopher J. Cramer (Chemistry)

Finding Semantically-Equivalent Binary Code By Synthesizing Adaptors
Authors: Vaibhav Sharma, Kesha Hietala, Stephen McCamant
MSI Principal Investigator: Stephen McCamant (Computer Science and Engineering)

Finite Difference Time Domain Simulations of Photonic Luminescent Solar Concentrators for Enhanced Optical Transport in Concentrated Photovoltaics
Authors: Ryan Connell, Vivian E. Ferry
MSI Principal Investigator: Vivian E. Ferry (Chemical Engineering and Materials Science)

Global Monitoring of Inland Water Dynamics: A Data-Driven Approach
Authors: Ankush Khandelwal, Anuj Karpatne, Vipin Kumar
MSI Principal Investigator: Vipin Kumar (Computer Science and Engineering)

Global Scale Yearly Mapping of Tropical Forest Fires Using Remote Sensing Data
Authors: Guruprasad Nayak, Varun Mithal, Vipin Kumar, Ramakrishna Nemani, Nikunj Oza
MSI Principal Investigator: Vipin Kumar (Computer Science and Engineering)

Groundwater Storage Contributions to Sea Level at and Since the Last Glacial Maximum
Authors: Kerry Callaghan, Andy Wickert, Ying Fan Reinfelder, Gonzalo Miguez-Macho, G-H. Crystal Ng
MSI Principal Investigator: Andrew Wickert (Earth Science)

Interplay Between Superconductivity and Charge Density Wave Physics Near an Antiferromagnetic Quantum Phase Transition
Authors: Xiaoyu Wang, Yuxuan Wang, Yoni Schattner, Erez Berg, Andrey V. Chubukov, Rafael M. Fernandes
MSI Principal Investigator: Rafael M. Fernandes (Physics)

Inverse Design Process: Generating the BIG DATA to Efficiently Visualize a Complete Design Space
Authors: Bethany Tourek, Dan Orban, Hakizumwami Birali Runesha, Dan Keefe, Arthur Erdman
MSI Principal Investigator: Arthur Erdman (Mechanical Engineering)

Large-Scale Plantation Mapping in Indonesia
Authors: Xiaowei Jia, Ankush Khandelwal, James Gerber, Kimberly Carlson, Leah Samberg, Paul West, Vipin Kumar
MSI Principal Investigator: Vipin Kumar (Computer Science and Engineering)

Mechanistic Insights Into the Hydrogenolysis of Acids Over Pd-Re Catalytic Surfaces
Authors: Ashwin Chemburkar, Matthew Neurock
MSI Principal Investigator: Matthew Neurock (Chemical Engineering and Materials Science)

Moving Towards Lead Free Perovskite Solar Cell Materials: A First Principles DFT Study
Authors: Debmalya Ray, Hung Q Pham, Molly Andersen, Laura Gagliardi
MSI Principal Investigator: Laura Gagliardi (Chemistry)

Multiferroics in Unique Eu Perovskites
Authors: Nathan Wilson, Turan Birol
MSI Principal Investigator: Turan Birol (Chemical Engineering and Materials Science)

Numerical Investigation of the Energy Transfer in a Coupled Wind and Wave System
Authors: William Xuanting Hao, Lian Shen
MSI Principal Investigator: Lian Shen (Mechanical Engineering)

Parallel Computing, Recommender Systems, and Learning Analysis
Authors: Evangelia Christakopoulou, Sara Morsy, Agoritsa Polyzou, Shaden Smith, George Karypis
MSI Principal Investigator: George Karypis (Computer Science and Engineering)

Phonon Transport in Flattened Carbon Nanotubes
Authors: Jihong Al-Ghalith, Traian Dumitrica
MSI Principal Investigator: Traian Dumitrica (Mechanical Engineering)

Probing the Atomic and Electronic Structure of BaSnO3 by STEM-EELS Analysis and ab Initio Calculations
Authors: Hwanhui Yun, Mehmet Topsakal, Abhinav Prakash, Koustav Ganguly, Chris Leighton, Bharat Jalan, Renata M. Wentzcovitch, K. Andre Mkhoyan, Jong Seok Jeong
MSI Principal Investigator: K. Andre MKhoyan (Chemical Engineering and Materials Science)

Rapid Conformational Fluctuations in a Model of Methylcellulose
Authors: Xiaolan Li, Frank S. Bates, Kevin D. Dorfman
MSI Principal Investigator: Kevin D. Dorfman (Department of Chemical Engineering and Materials Science)

Structural Characters and Radical Propagation in Escherichia coli Class 1a Ribonucleotide Reductase (RNR) From Multistate Technique
Author: Haisheng Ren, Xiaochua Chen, Jiali Gao
MSI Principal Investigator: Jiali Gao (Chemistry)

Switchable Chiral Metamaterial Platform With Superchiral Electromagnetic Hotspots
Authors: Pavlos Pachidis, Vivian Ferry
MSI Principal Investigator: Vivian Ferry (Chemical Engineering and Materials Science)

Temperature Variation in Granular Media During Heat Assisted Magnetic Recording
Authors: Ali Ghoreyshi, Randall H. Victora
MSI Principal Investigator: Randall H. Victora (Electrical Engineering)

Theory of Magneto-Resistance of Organic Molecular Tunnel Junctions With Non-Magnetic Electrodes
Authors: Sha Shi, P. Paul Ruden, Darryl L. Smith
MSI Principal Investigator: P. Paul Ruden (Electrical and Computer Engineering)

Tripoles: A New Class of Relationships in Time Series Data
Authors: Saurabh Agrawal, Gowtham Atluri, Anuj Karpatne, Jeffrey Stamp, William Haltom, Stefan Liess, Snigdhansu Chatterjee, Vipin Kumar
MSI Principal Investigator: Vipin Kumar (Computer Science and Engineering)

UoI-NMFcluster: A Robust Nonnegative Matrix Factorization Algorithm for Improved Parts-Based Decomposition and Reconstruction of Noisy Data
Authors: Shashanka Ubaru, Kristofer Bouchard, John Wu, Yousef Saad
MSI Principal Investigator: Yousef Saad (Computer Science and Engineering)