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Publications & Presentations

Citations are sorted by stakeholder’s (PI) name in bold.

2022 Publications

Meyer, C.S., O’Brien, D.J., Haque, B.Z., Gillespie, Jr., J.W., “Mesoscale Modeling of Ballistic Impact experiments on a Single Layer of Plain Weave Composite”, https://doi.org/10.1016/j.compositesb.2022.109753, Composites Part B, 109753, 2022

Chowdhury, S.C., Gillespie, Jr., J.W., “Strain-Rate Dependent Mode I Cohesive Traction Laws for Glass Fiber-Epoxy Interphase using Molecular Dynamics Simulations”, https://doi.org/10.1016/j.compositesb.2022.109877, Composites Part B, 109877, 2022

Yeon, J., Chowdhury, S.C., Gillespie, Jr., J.W., “Mechanical Properties and Damage Analysis of S-glass Fiber: A Reactive Molecular Dynamics Study”, https://doi.org/10.1016/j.compositesb.2022.109706, Composites Part B, Volume 234, 109706, 2022

Haque (Gama), B.Z., Kubota, M., Gillespie, Jr., J.W., “Depth of Penetration Experiments of S-2 Glass/Epoxy Composites: A New Experimental Methodology in Determining the Rate Dependent Dynamic Crush Strength of Composites”, https://doi.org/10.1016/j.compositesb.2022.109917, Composites Part B, Submitted, Volume 238, 109917, 2022

Classification and Denoising of Radio Signals using Machine Learning, Abdul Rehman, Alan Coleman, Frank G. Schroeder, Dmitriy Kostunin, Proceedings of Science 395 (2022) 417, DOI:10.22323/1.395.0417

Deep Learning for Classification and Denoising of Cosmic-Ray Radio Signals, Abdul Rehman, Alan Coleman, Frank Schroeder, Workshop on Machine Learning for Cosmic-Ray Air Showers, Newark DE, 2022, DOI:10.5281/zenodo.6301065

2022 Presentations

Gillespie, Jr., J.W., Center for Composite Materials MEDE Posters, 2022 and previous years.

Bazle Z. (Gama) Haque, Ali I. Ayten, Eli D. Bogetti, Andrew J. Stack, Molla A. Ali, Sagar M. Doshi, Munetaka Kubota, Daniel J. O’Brien and John W. Gillespie Jr. Quasi-Static Indentation Testing of S-2 Glass Composites: Effect of Fabric Architecture and Matrix Non-Linearity. SAMPE 2022, Charlotte, North Carolina, May 23-26, 2022.

Bazle Z. (Gama) Haque, Molla A. Ali, Daniel J. O’Brien and John W. Gillespie Jr. Punch Crush and Punch Shear Damage Behavior of Uni-Directional S-2 Glass Composite Ribbons At Sub-Millimeter Length Scale. SAMPE 2022, Charlotte, North Carolina, May 23-26, 2022.

Meyer, C. S., O’Brien, D.J., Haque, B.Z., Gillespie, Jr., J.W., “Experiments and Mesoscale Modeling of Ballistic Impact on Plain Weave Glass/Epoxy Composite”, SAMPE 2022, Charlotte, NC, https://www.nasampe.org/events/EventDetails.aspx?id=1244904, May 23 – 26, 2022

Samuel, Paul D., Haque, B.Z., Shevchenko, N., Yiournas A., Sharma, S., Yarlagadda, S., O’Brien, D.J., Gillespie, Jr., J.W. “Improving Damage Tolerance of Plain Weave S-2 Glass Thick-Section Composites Subjected to High Energy Impact”, SAMPE 2022, Charlotte, NC, https://www.nasampe.org/events/EventDetails.aspx?id=1244904, May 23 – 26, Accepted 2022

Chowdhury, Sanjib C., Gillespie, Jr., J.W., “Rate-Dependent Traction Law for Glass Fiber-Epoxy Interphase Developed Using Molecular Simulations”, SAMPE 2022, Charlotte, NC, https://www.nasampe.org/events/EventDetails.aspx?id=1244904, May 23 – 26, Accepted 2022

2021 Publications

H. Baker and A. J. Brockmeier, “Exploring latent networks in resting-state fMRI using voxel-to-voxel causal modeling feature selection”, Machine Learning for Health (ML4H) – Extended Abstract, 2021. Abstract and Poster. arXiv: 2111.07488v1 [eess.SP]

C. H. Mendoza-Cardenas and A. J. Brockmeier, “Shift-invariant waveform learning on epileptic ECoG”, IEEE Engineering in Medicine and Biology Society (EMBC), 2021. DOI: 10.1109/EMBC46164.2021.9629913

Newman, H.R., DeLucca, J.F., Peloquin, J.M., Vresilovic, E.J., and Elliott, D.M. (2021). Multiaxial validation of a finite element model of the intervertebral disc with multigenerational fibers to establish residual strain. JOR Spine 4, e1145. DOI: 10.1002/jsp2.1145

Bhaduri, A., Meyer, C., Gillespie, J.W., Haque, B., and Shields, M., Graham-Brady, L., “Probabilistic modeling of discrete structural response with application to composite plate penetration models,” https://doi.org/10.1061/(ASCE)EM.1943-7889.0001996, Journal of Engineering Mechanics, Volume 147, Issue 11, Accepted June 2021

Bazle Z Haque, John W Gillespie Jr, “Perforation Mechanics of UHMWPE Soft Ballistic Sub-Laminate and Soft Ballistic Armor Pack: A Finite Element Study”, Journal of Thermoplastic Composite Material, September 2, 2021, https://doi.org/10.1177/08927057211042058

Haque, B.Z., Nguyen, T., Catugas, I., O’Brien, D.J., Gillespie, Jr., J. W., “Micromechanical Finite Element Modeling of Unidirectional Composites in Three Dimensions: Prediction of Transverse Tensile & Compressive, Transverse Shear & In-Plane Shear Progressive Damage Behavior”, ASC 36th Technical Conference, Virtual, Sept. 20-23, 2021 DOI:10.12783/asc36/35839

Meyer, C.S., Catugas, I.G., Gillespie, Jr., J.W., Haque, B.Z., “Investigatioin of normal, lateral and oblique impact of microscale projectiles into unidirectional glass/epoxy composites”, https://doi.org/10.1016/j.dt.2021.08.012 (2021)

Yeon, Jejoon, Chowdhury, S.C., Daksha, C.M., Gillespie, Jr., J.W., “Development of Mg/Al/Si/O ReaxxFF Parameters for Magnesium Aluminosilicate Glass using Artificial Neural network Assisted Genetic Algorith.” https://doi.org/10.2021/acs.jpcc.1c01190, Journal of Physical Chemistry, Accepted July 2021

Yeon, J., Chowdhury, S.C., Daksha, C.M., Belmonte, D., VanDuin, A., Gillespie, Jr., J.W., “Parameterization of ReaxFF Potential of MG/AL/SI/O Interaction and Investigation of Mechanical Properties for S-glass”, ASC 36th Technical Conference, Virtual, Sept. 20-23, 2021, DOI-10.12783/asc36/35858

Meyer, C.S., Haque, B.Z., Gillespie, Jr., J.W., “Bridging Length Scales from Micro to Mesoscale through Rate-Dependent Traction-Seperation Law Predictions”, Composites Part B, https://doi.org/10.1016/j.compositesb.2021.109558 (2021)

Meyer, C.S., Haque, B.Z., O’Brien, D.J., Gillespie, Jr., J.W., “Micromechanical Finite Element Prediction of Interlaminar Traction -Seperation Laws Using J-Integral Approach”, DOI:101.2783/asc36/35941

Haque (Gama), Bazle Z., J.W. Gillespie, Jr. “Depth of Penetration of Dyneema HB26 Hard Ballilstic Laminates.”, https://doi.org/10.1177/08927057211018532, Journal of Thermoplastic Composite Materials, Published May 26, 2021

Meyer, C., Bonyi, E., Drake, K., Obafemi-Babatunde, T., Daodu, A., Ajifa, D. Bigio, A., Taylor, J., Haque, B., O’Brien, D., Gillespie, J.W., Aslan, K., “Automated detection and quantification of transverse cracks on woven composites,” https://doi.org/10.1177%2F07316844211017647, Journal of Reinforced Plastics and Composites, Published, May 15, 2021

Chowdhury, S. C., Prosser, R., Sirk, T.W., Elder, R.M., Gillespie, Jr., J.W., “Glass fiber-epoxy interactions in the presence of silane: A molecular dynamics study”, https://doi.org/10.1016/j.apsusc.2020.148738, Applied Surface Science, Volume, 542, March 2021

Chowdhury, S.C., Hemphill, M., Kubota, M., Gillespie, Jr., J.W., “Effects of Strain Rate, Transverse Pressure and Fiber Surface Roughness on Traction Laws of Glass Fiber Epoxy Interphases”, ASC 36th Technical Conference, Virtual, Sept. 20-23, 2021

Daksha, Chaitanya, Yeon, Jejoon, Chowdhury, S.C., Gillespie, J.W., “Automated ReaxFF Parametrization using Machine Learning.”, https://doi.org/10.1016/j.commatsci.2020.110107, Journal of Computational Materials Science, Volume 187, February 2021

Bhalode, Pooja, and Marianthi Ierapetritou. “Multi-zonal compartmentalization methodology for surrogate modelling in continuous pharmaceutical manufacturing.” Computer Aided Chemical Engineering. Vol. 50. Elsevier, 2021. 725-731. DOI: https://doi.org/10.1016/j.ijpharm.2021.120643

Bhalode, Pooja, and Marianthi Ierapetritou. “Hybrid multi-zonal compartment modeling for continuous powder blending processes.” International Journal of Pharmaceutics 602 (2021): 120643. DOI: https://doi.org/10.1016/j.ijpharm.2021.120643

Pooja Bhalode, Yi Tao, Fernando J. Muzzio, Marianthi Ierapetritou “Development of discrete element method calibration approach for pharmaceutical applications”, Paper #103f, AIChE Annual Meeting, Boston, MA, November 2021. https://plan.core-apps.com/aiche2021/event/eaabcc1b00da39a2acf8116f99a20663

L. E. H. Rodriguez and A. A. Kananenka, Convolutional neural networks for long time dissipative quantum dynamics, The Journal of Physical Chemistry Letters 12, 2476–2483 (2021). DOI: 10.1021/acs.jpclett.1c00079

Precision Calculation of Hyperfine Constants for Extracting Nuclear Moments of 229Th, S. G. Porsev, M. S. Safronova, and M. G. Kozlov, Phys. Rev. Lett. 127, 253001 (2021). https://doi.org/10.1103/PhysRevLett.127.253001

Grady Kestler, Khang Ton, Dmytro Filin, Marianna S. Safronova, and Julio T. Barreiro, Magic wavelengths of the Sr (5s2 1S0 – 5s5p 3P1) intercombination transition near the 5s5p3P1 – 5p2 3P2 transition, arXiv:2111.04812 (https://arxiv.org/abs/2111.04812), submitted to Phys. Rev A (2021).

E. B. Norrgard, D. S. Barker, S. P. Eckel, S. G. Porsev, C. Cheung, M. G. Kozlov, I. I. Tupitsyn, and M. S. Safronova, Laser Spectroscopy of the y7PJ states of Cr I, arXiv:2111.12049 (https://arxiv.org/abs/2111.12049), submitted to Phys. Rev A (2021).

S. G. Porsev, C. Cheung and M. S. Safronova, Low-lying energy levels of 229Th35+ and the electronic bridge process, Quantum Sci. Technol. 6, 034014 (2021). https://doi.org/10.1088/2058-9565/ac08f1

C. Cheung, M. S. Safronova, S. G. Porsev, Scalable codes for precision calculations of properties of complex atomic systems, Symmetry 13 (4), 621 (2021). https://doi.org/10.3390/sym13040621

C. W. Walter, S. E. Spielman, R. Ponce, N. D. Gibson, J. N. Yukich, C. Cheung, and M. S. Safronova, Observation of an electric quadrupole transition in a negative ion: Experiment and Theory, Phys. Rev. Lett. 126, 083001 (2021). https://doi.org/10.1103/PhysRevLett.126.083001

M. S. Safronova, C. Cheung, M. G. Kozlov, S. E. Spielman, N. D. Gibson, and C. W. Walter, Predicting quasibound states of negative ions, Phys. Rev. 103, 022819 (2021). https://doi.org/10.1103/PhysRevA.103.022819

Using Convolutional Neural Networks for the Classification of Radio Signals from Cosmic-Ray Air Showers, Abdul Rehman, Frank Schroeder, Alan Coleman, Bulletin of the American Physical Society 66, 2021 (APS April Meeting 2021).

2020 Publications

Safa, B.N., Santare, M.H., Ethier, C.R., and Elliott, D.M. (2020). Identifiability of Tissue Material Parameters from Uniaxial Tests using Multi-start Optimization. BioRxiv 2020.09.09.289702. DOI: 10.1101/2020.09.09.289702

Safa, B.N., Bloom, E.T., Lee, A.H., Santare, M.H., and Elliott, D.M. (2020). Evaluation of transverse poroelastic mechanics of tendon using osmotic loading and biphasic mixture finite element modeling. J Biomech 109, 109892. DOI: 10.1016/j.jbiomech.2020.109892

Daksha, C.M., Yeon, J., Chowdhury, S.C., Gillespie, Jr., J.W., “Parametrization of Reactive Potential using Genetic Algorithm and Machine Learning Techniques”, ASC 2020, https://asc2020nyc/ September 14-17, 2020

Chowdhury, S.C., Prosser, R., Gillespie, Jr., J.W., “Molecular Modeling of Glass-Epoxy Interpahse: Influence of Chemistry and Molecular Weight of Silanes”, DOI:10.12783/asc35/34942

Bonyi, E., Kioko, B., Meyer, C.S., Adesina, O., Obafami-Babatunde, T., Guy, J., O’Brien, D., Haque, B. Z., Gillespie, J.W., Aslan, K., “Toward automated identification and quantification of meso-scale damage modes in plain weave glass/epoxy composite laminates”, International Journal of Damage Mechanics, 1056789519887215, Volume 29, Issue 5 , 831-848 2020, https://doi.org/10.1177/1056789519887215

Chowdhury, S. C., R. M. Elder, T. W. Sirk, and J. W. Gillespie, Jr., “Epoxy Resin Thermo-Mechanics and Failure Modes: Effects of Cure and Cross-Linker Length,” https://doi.org/10.1016/j.compositesb.2020.107814, Composites Part B, Volume 186, 107814, April 2020

Chowdhury, S.C., Sockalingam, S., Gillespie, Jr., J.W., “Inter-molecular interactions in ultrahigh molecular weight polyethylene single crystals”, https://doi.org/10.1016/j.commatsci.2019.109360, Computational Materials Science, Volume 172, February 2020

Pooja Bhalode, Marianthi Ierapetritou “A Multi-Scale Hybrid Modeling Approach for Continuous Pharmaceutical Unit Operations”, Paper #377b, 2020 Virtual AIChE Annual Meeting, November 2020.https://plan.core-apps.com/aiche2020/event/74d8cf75e00c20cd8f09bd3f0e559367

Kananenka, Alexei A. and Skinner, J. L., Unusually strong hydrogen bond cooperativity in particular (H2O)20 clusters, Phys. Chem. Chem. Phys., 2020, 22, 32, 18124-18131, DOI: 10.1039/D0CP02343D

Accurate Prediction of Clock Transitions in a Highly Charged Ion with Complex Electronic Structure, C. Cheung, M. S. Safronova, S. G. Porsev, M. G. Kozlov, I. I. Tupitsyn, and A. I. Bondarev, Phys. Rev. Lett. 124, 163001 (2020). https://doi.org/10.1103/PhysRevLett.124.163001

Measurement of the 7p 2P3/2 state branching fractions in Ra+, M. Fan, C. A. Holliman, S. G. Porsev, M. S. Safronova, and A. M. Jayich, Phys. Rev. A 100, 062504 (2019). https://doi.org/10.1103/PhysRevA.100.062504

Steffen Kühn et al., High-resolution photo-excitation measurements exacerbate the long-standing Fe XVII emission problem, Phys. Rev. Lett. 124, 225001 (2020). https://doi.org/10.1103/PhysRevLett.124.225001

Simulation Study of Radio Signals from Cosmic-Ray Air Showers for an Antenna Array at IceTop, Abdul Rehman, Frank Schroeder, Alan Coleman, Bulletin of the American Physical Society 65, 2020 (APS April Meeting 2020).

Classification and Denoising of Radio Signals using Machine Learning, Abdul Rehman, Frank Schroeder, Alan Coleman, Bulletin of the American Physical Society 65, 2020 (APS Mid-Atlantic Section 2020).

2019 Publications

Safa, B.N., Peloquin, J.M., Natriello, J.R., Caplan, J.L., and Elliott, D.M. (2019). Helical fibrillar microstructure of tendon using serial block-face scanning electron microscopy and a mechanical model for interfibrillar load transfer. J R Soc Interface 16, 20190547. DOI: 10.1098/rsif.2019.0547

Chowdhury, S. C., R. Prosser, T. W. Sirk, and J. W. Gillespie, Jr., “Molecular Modeling of Silica-Epoxy Interphase with Monolayer Silane,” ASC 34th Technical Conference, Georgia Institute of Technology, Sept. 23-25, 2019.

Haque, G. Z. (Gama), M. A. Ali, D. J. O’Brien, and J. W. Gillespie, Jr., “Micromechanical Modeling of High Rate Punch Shear Behavior of Unidirectional Composites,” ASC 34th Technical Conference, Georgia Institute of Technology, Sept. 23-25, 2019.

Meyer, C. S., B. Z. Haque, D. J. O’Brien, and J. W. Gillespie. Jr., “Mesoscale and Continuum Models of Wave Propagation in a Woven Composite,” ASC 34th Technical Conference, Georgia Institute of Technology, Sept. 23-25, 2019.

Chowdhury, S. C. Wise, E. Ganesh, R. and Gillespie, J. (2018) “Effect of Surface Crack on the Mechanical Properties of Silica: A Molecular Dynamics Simulation Study.” Engineering Fracture Mechanics, 207, 99-108, doi.org/10.1016/j.engfracmech.2018.12.0215 (2019)

Bonyi, E., Meyer, C.S., Kioko, B., Adesina, O., Lansiquot, C., Onuk, Z., O’Brien, D., Haque, B.Z., Gillespie, Jr., J.W., Aslan, K., “Assessment and Quantification of Ballistic Impact Damage of a Single-Layer Woven Fabric Composite.” International Journal of Damage Mechanics, 28 (2), 249-269, https://doi.org/10.1177/1056789518758153 (2019)

Haque, B.Z., Molla, A., Ganesh, R.H., Tamrakar, S., Yen, C.F., O’Brien, D., Gillespie, Jr., J.W., “Stochastic micromechanical modeling of transverse punch shear damage behavior of unidirectional composites.”, Jornal of Composite Materials, 53, (9), 1197-1213, https://doi.org/10.1177/0021998318796174 (2019)

2018 Publications

Tamrakar, S. Ganesh, R. Sockalingam, S. Haque, B. Z. and Gillespie, J. (2018) “Experimental Investigation of Strain Rate and Temperature Dependent Response of an Epoxy Resin Undergoing Large Deformation.” Journal of Dynamic Behavior of Materials, 4(1), 114-128. doi: https://doi.org/10.1007/s40870-018-0144-8 (2018)

Chowdhury, S.C., Wise, E., Elder, R., Sirk, T., Harman, D., Gillespie, Jr., J.W., (2018), “Molecular Dynamic Simulations of Fiber-Sizing Interphase” , ASC 33rd, Technical Conference, Seattle, Washington, Sept. 24-26, 2018, DOI: 10.11783/asc33/25917

Haque, B.Z., Ali, M, Ganesh, R., Tamrakar, S., Yen, C., O’Brien, D., Gillespie, Jr., J.W., (2018), “MICROMECHANICAL FINITE ELEMENT MODELING OF MICRO PUNCH SHEAR EXPERIMENTS ON UNIDIRECTIONAL COMPOSITES”, DOI: 10.12783/asc33/26124

Yeon, J, Chowdhury, S.C., Daksha, C., Gillespie, Jr., J.W., (2018), “ATOMISTIC SCALE SIMULATION FOR THE INTER-DIFFUSION OF EPON 828 AND JEFFAMINE”, DOI: 10.12783/asc33/25918

Chowdhury, S.C., Gillespie, Jr., J.W., “A Molecular Dynamics Study of the Effects of Hydrogen Bonds on Mechanical Properties of Kevlar Crystal”, Computational Materials Science, Volume 148, 286-300, https://doi.org/10.1016/j.commatsci.2018.02.055 (2018)

Meyer, C.S., Haque, B.Z., O’Brien, D., Getinet, N., Yu, J., Bonyi, E., Aslan, K., Gillespie, Jr., J.W., (2018), “Mesoscale Ballistic Damage Mechanics of a Single-Ply Woven Glass/Epoxy Composite.”, International Journal of Impact Engineering, DOI: https://doi.org/10.1016/j.ijimpeng.2017.11.005 (2018)

2017 Publications

Chowdhury S. C., Elder R. M., Sirk T. W., Adri C. T. van Duin, and J. W. Gillespie Jr., “Modeling of glycidoxypropyltrimethoxy
silane compositions using molecular dynamics simulations”, Computational Materials Science, 2017, 140: 82-88. https://www.sciencedirect.com/science/article/pii/S092702561730455X

Chowdhury, S. C., and J. W. Gillespie., Jr., “Silica – silane coupling agent interphase properties using molecular dynamics simulations,” Journal of Materials Science, 2017, 52: 12981-12998. https://link.springer.com/article/10.1007/s10853-017-1412-z

Sanjib C. Chowdhury, Subramani Sockalingam, John W. Gillespie Jr., Molecular Dynamics Modeling of the Effect of Axial
and Transverse Compression on the Residual Tensile Properties of Ballistic Fiber, Fibers 2017, 5(1), 7.
http://www.mdpi.com/2079-6439/5/1/7.https://doi.org/10.3390/fib5010007

Chowdhury, S. C., E. A. Wise, and J. W. Gillespie, Jr., “Modeling of glass fiber with surface cracks – A molecular dynamics simulation study,” American Society for Composites 32nd Technical Conference, October 22-25, 2017, West Lafayette, IN, USA. https://www.researchgate.net/profile/John_Gillespie_Jr/publication/320934876_Modeling_of_Glass_Fiber_with_Surface_Cracks_-_A_Molecular_Dynamics_Simulation_Study/links/5a035e930f7e9beb176f710c/Modeling-of-Glass-Fiber-with-Surface-Cracks-A-Molecular-Dynamics-Simulation-Study.pdf

2016 Publications

Chowdhury, S. C., B. Z. (Gama) Haque, J. W. Gillespie., Jr., “Molecular Dynamics Simulations of the Structure and Mechanical Properties of Silica Glass using ReaxFF,” Journal of Materials Science, 2016, 51 (22), pp. 10139-10159, 2016. https://link.springer.com/article/10.1007/s10853-016-0242-8

Bazle Z. (Gama) Haque, Sanjib C. Chowdhury, John W.Gillespie Jr., Molecular simulations of stress wave propagation and perforation of graphene sheets under transverse impact. Carbon, Volume 102, June 2016, Pages 126-140. https://www.sciencedirect.com/science/article/pii/S0008622316301269

Haulsee*, D.E., Fox, D.A., Breece*, M.W., Brown, L.M., Kneebone, J., Skomal, G.B. and Oliver, M.J., 2016. Social Network Analysis Reveals Potential Fission-Fusion Behavior in a Shark. Scientific Reports, 6. doi: 10.1038/srep34087

Sanjib C. Chowdhury, Subramani Sockalingam, John W. Gillespie Jr., Molecular Dynamics Modeling of the Effect of Axial and Transverse Compression on the Residual Tensile Properties of Ballistic Fiber, Fibers 2017, 5(1), 7. http://www.mdpi.com/2079-6439/5/1/7. https://doi.org/10.3390/fib5010007

Chowdhury, S. C., E. A. Wise, and J. W. Gillespie, Jr., “Modeling of glass fiber with surface cracks – A molecular dynamics simulation study,” American Society for Composites 32nd Technical Conference, October 22-25, 2017, West Lafayette, IN, USA. https://www.researchgate.net/profile/John_Gillespie_Jr/publication/320934876_Modeling_of_Glass_Fiber_with_Surface_Cracks_-_A_Molecular_Dynamics_Simulation_Study/links/5a035e930f7e9beb176f710c/Modeling-of-Glass-Fiber-with-Surface-Cracks-A-Molecular-Dynamics-Simulation-Study.pdf

Cimino*, M.A., Lynch, H.J., Saba, V.S. and Oliver, M.J., 2016. Projected asymmetric response of Adélie penguins to Antarctic climate change. Scientific Reports, 6. doi: 10.1038/srep28785

Breece, M. W., Fox, D. A., Dunton, K. J., Frisk, M. G., Jordaan, A., Oliver, M. J. (2016), Dynamic seascapes predict the marine occurrence of an endangered species: Atlantic Sturgeon Acipenser oxyrinchus oxyrinchus. Methods in Ecology and Evolution. doi: 10.1111/2041-210X.12532

S. K. Brand, T. R. Josephson, J. A. Labinger, S. Caratzoulas, D. G. Vlachos and M. E. Davis, Methyl-ligated tin silsesquioxane catalyzed reactions of glucose, J. Catal. 341, 62-71 (2016). 10.1016/j.jcat.2016.06.013

J. Luo, H. Yun, A. V. Mironenko, K. Goulas, J. D. Lee, M. Monai, C. Wang, V. Vorotnikov, C. B. Murray, D. G. Vlachos, P. Fornasiero and R. J. Gorte, Mechanisms for High Selectivity in the Hydrodeoxygenation of 5-Hydroxymethylfurfural over PtCo Nanocrystals, ACS Catal. 6 (7), 4095-4104 (2016). 10.1021/acscatal.6b00750

A. V. Mironenko and D. G. Vlachos, Conjugation-Driven “Reverse Mars-van Krevelen”-Type Radical Mechanism for Low-Temperature C-O Bond Activation, J. Am. Chem. Soc. 138 (26), 8104-8113 (2016). 10.1021/jacs.6b02871

C. P. O’Brien, G. R. Jenness, H. Dong, D. G. Vlachos and I. C. Lee, Deactivation of Pt/Al2O3 during propane oxidation at low temperatures: Kinetic regimes and platinum oxide formation, J. Catal. 337, 122-132 (2016). 10.1016/j.jcat.2016.02.012

C. L. Williams, K. P. Vinter, R. E. Patet, C. C. Chang, N. Nikbin, S. T. Feng, M. R. Wiatrowski, S. Caratzoulas, W. Fan, D. G. Vlachos and P. J. Dauenhauer, Inhibition of Xylene Isomerization in the Production of Renewable Aromatic Chemicals from Biomass-Derived Furans, ACS Catal. 6 (3), 2076-2088 (2016). 10.1021/acscatal.5b02329

Z. B. Zhuang, S. A. Giles, J. Zheng, G. R. Jenness, S. Caratzoulas, D. G. Vlachos and Y. S. Yan, Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte, Nat. Commun. 7, 8 (2016). 10.1038/ncomms10141

S. K. Green, R. E. Patet, N. Nikbin, C. L. Williams, C. C. Chang, J. Y. Yu, R. J. Gorte, S. Caratzoulas, W. Fan, D. G. Vlachos and P. J. Dauenhauer, Diels-Alder cycloaddition of 2-methylfuran and ethylene for renewable toluene, Appl. Catal. B-Environ. 180, 487-496 (2016). 10.1016/j.apcatb.2015.06.044

Wu, G., Shi, F., Kirby, J. T., Mieras, R., Liang, B., Li, H. and Shi, J., 2016, “A pre-storage, subgrid model for simulating flooding and draining processes in salt marshes”, Coastal Engineering, 108, 65-78, doi: 10.1016/j.coastaleng.2015.11.008.

Derakhti, M. and Kirby, J. T., 2016, “Breaking-onset, energy and momentum flux in unsteady focused wave packets”, Journal of Fluid Mechanics, 790, 553-581, doi: 10.1017/jfm.2016.17.

Orzech, M., Shi, F., Veeramony, J., Bateman, S., Calantoni, J. and Kirby, J. T., 2016, “Incorporating floating surface objects into a fully dispersive surface wave model”, Ocean Modelling, 102, 14-26, doi: 10.1016/j.ocemod.2016.04.007.

Ma, G., Farahani, A. A., Kirby, J. T. and Shi, F., 2016, “Modeling wave-structure interactions by an immersed boundary method in a sigma-coordinate model”, Ocean Engineering, 125, 238-247, doi: 10.1016/j.oceaneng.2016.08.027.

Derakhti, M., Kirby, J. T., Shi, F. and Ma, G., 2016, “NHWAVE: Consistent boundary conditions and turbulence modeling”, Ocean Modelling, 106, 121-130, doi: 10.1016/j.ocemod.2016.09.002.

Kirby, J. T., Shi, F., Nicolsky, D. and Misra, S., 2016, “The 27 April 1975 Kitimat, British Columbia submarine landslide tsunami: A comparison of modeling approaches”, Landslides, doi: 10.1007/s10346-016-0682-x.

Shi, F., Chickadel, C., Hsu, T.-J., Kirby, J. T., Farquharson, G. and Ma, G., 2016, “High-resolution non-hydrostatic modeling of frontal features in the mouth of the Columbia River”, Estuaries and Coasts, doi: 10.1007/s12237-016-0132-y.

Derakhti, M., Kirby, J. T., Shi, F. and Ma, G., 2016, “Wave breaking in the surf zone and deep water in a non-hydrostatic RANS model. Part 1: Organized wave motions”, Ocean Modelling, doi: 10.1016/j.ocemod.2016.09.001.

Derakhti, M., Kirby, J. T., Shi, F. and Ma, G., 2016, “Wave breaking in the surf zone and deep water in a non-hydrostatic RANS model. Part 2: Turbulence and mean circulation”, Ocean Modelling, doi:10.1016/j.ocemod.2016.09.011.

2015 Publications

W. Guo and D. G. Vlachos, Patched bimetallic surfaces are active catalysts for ammonia decomposition, Nat. Commun. 6, Article number 8619 (2015). 10.1038/ncomms9619

S. G. Wang, V. Vorotnikov and D. G. Vlachos, Coverage-Induced Conformational Effects on Activity and Selectivity: Hydrogenation and Decarbonylation of Furfural on Pd(111), ACS Catal. 5 (1), 104-112 (2015). 10.1021/cs5015145

V. Vorotnikov and D. G. Vlachos, Group Additivity and Modified Linear Scaling Relations for Estimating Surface Thermochemistry on Transition Metal Surfaces: Application to Furanics, J. Phys. Chem. C 119 (19), 10417-10426 (2015). 10.1021/acs.jpcc.5b01696

R. E. Patet, N. Nikbin, C. L. Williams, S. K. Green, C.-C. Chang, W. Fan, S. Caratzoulas, P. J. Dauenhauer and D. G. Vlachos, Kinetic Regime Change in the Tandem Dehydrative Aromatization of Furan Diels–Alder Products, ACS Catal. 5 (4), 2367-2375 (2015). 10.1021/cs5020783

A. V. Mironenko, M. J. Gilkey, P. Panagiotopoulou, G. Facas, D. G. Vlachos and B. Xu, Ring Activation of Furanic Compounds on Ruthenium-Based Catalysts, J. Phys. Chem. C 119 (11), 6075-6085 (2015). 10.1021/jp512649b

G. R. Jenness and D. G. Vlachos, DFT Study of the Conversion of Furfuryl Alcohol to 2-Methylfuran on RuO2 (110), J. Phys. Chem. C 119 (11), 5938-5945 (2015). 10.1021/jp5109015

M. J. Gilkey, P. Panagiotopoulou, A. V. Mironenko, G. R. Jenness, D. G. Vlachos and B. Xu, Mechanistic Insights into Metal Lewis Acid-Mediated Catalytic Transfer Hydrogenation of Furfural to 2-Methylfuran, ACS Catal. 5 (7), 3988–3994 (2015). 10.1021/acscatal.5b00586</a >

J. R. Christianson, S. Caratzoulas and D. G. Vlachos, Computational Insight into the Effect of Sn-Beta Na Exchange and Solvent on Glucose Isomerization and Epimerization, ACS Catal. 5 (9), 5256-5263 (2015). 10.1021/acscatal.5b0125

Shi, F., Vittori, G. and Kirby, J. T., 2015, “Concurrent correction method for modeling morphological response to dredging an offshore sandpit”, Coastal Engineering, 97, 1-10, doi:10.1016/j.coastaleng.2014.12.008

Grilli, S. T., O’Reilly, C., Harris, J. C., Tajalli Bakhsh, T., Tehranirad, B., Banihashemi, S., Kirby, J. T., Baxter, C. D. P., Eggeling, T., Ma, G. and Shi, F., 2015, “Modeling of SMF tsunami hazard along the upper U. S. East Coast: Detailed impact around Ocean City, MD”, Nat. Hazards, 76, 705-746, doi:10.1007/s11069-014-1522-8

Ma, G., Kirby, J. T., Hsu, T.-J. and Shi, F., 2015, “A two-layer granular landslide model for tsunami wave generation: Theory and computation”, Ocean Modelling, 93, 40-55, doi:10.1016/j.ocemod.2015.07.012

Tehranirad, B., Harris, J. C., Grilli, A. R., Grilli, S. T., Abadie, S., Kirby, J. T. and Shi, F., 2015, “Far-field tsunami hazard on the western European and US east coast from a large scale flank collapse of the Cumbre Vieja volcano, La Palma”, Pure and Applied Geophysics, 172, 3589-3616, doi:10.1007/s00024-015-1135-5

Shi, J., Shi, F., Kirby, J. T., Ma, G.. Wu, G., Tong, C. and Zheng, J., 2015, “Pressure decimation and interpolation (PDI) method for a baroclinic non-hydrostatic model”, Ocean Modelling, 96, 265-279, doi:10.1016/j.ocemod.2015.09.010

S. C. Chowdhury, J. Staniszewski, E. M. Martz, R. H. Ganesh, S. Sockalingam, B. Z. (Gama) Haque, T. A. Bogetti, and J. W. Gillespie Jr., “A Computational Approach for Linking Molecular Dynamics To Finite Element Simulation of Polymer Chains in Polyethylene Fibers”, Proceedings of the American Society for Composites 30th Technical Conference, September 28-30, 2015, MSU, East Lansing, MI, USA. http://www.dpi-proceedings.com/index.php/ASC30/article/view/1480

S. C. Chowdhury, G. R. Swenson, Bazle Z. (Gama) Haque and John W. Gillespie Jr., “Molecular Dynamics Simulations of Single-Walled Carbon Nanotube Bundle under Mechanical Loading”, FEATURE ARTICLE, SAMPE Journal, Vol. 51(3), pp. 40-48, May/June 2015. https://www.researchgate.net/profile/Sanjib_Chowdhury3/publication/287396022_Molecular_Dynamics_Simulations_of_Singe-walled_Carbon_Nanotube_Bundle_under_Mechanical_Loading/links/56b89e6a08ae5ad3605f44cc.pdf

Brown, Nerissa C. and Stice, J. Han and White, Roger, Mobile Communication and Local Information Flow: Evidence from Distracted Driving Laws (February 16, 2015). Journal of Accounting Research, Forthcoming. Available at SSRN: http://ssrn.com/abstract=2410372 or “http://dx.doi.org/10.2139/ssrn.2410372

Fu, Weixuan, Jack CM Dekkers, William R. Lee, and Behnam Abasht. “Linkage disequilibrium in crossbred and pure line chickens.” Genetics Selection Evolution 47, no. 1 (2015): 11.

Zhou, Nan, William R. Lee, and Behnam Abasht. “Messenger RNA sequencing and pathway analysis provide novel insights into the biological basis of chickens’ feed efficiency.” BMC genomics 16.1 (2015): 195.

Rabe, T., Kukulka, T., I. Ginis, T. Hara, B. Reichl, E. D’Asaro, R. Harcourt, P. P. Sullivan, Langmuir turbulence under Hurricane Gustav (2008), J. Phys. Oceanogr., 45(3), 657–677, 2015. [pdf]

Sha, J., Young-Heon, J., Oliver, M. J., Kohut, J. T., Shatley, M., Liu, W. T., Yan, X. H. 2015. A case study of large phytoplankton blooms off the New Jersey coast with multi-sensor observations. Continental Shelf Research. doi:10.1016/j.csr.2015.07.006.

2014 Publications

Chen, J.-L., Shi, F., Hsu, T. J. and Kirby, J. T., 2014, “NearCoM-TVD – a quasi-3D nearshore circulation and sediment transport model”, Coastal Engineering, 91, 200-212, doi:10.1016/j.coastaleng.2014.06.002

Tappin, D. R., Grilli, S. T., Harris, J. C., Geller, R. J., Masterlark, T., Kirby, J. T., Shi, F., Ma, G., Thingbaijam, K. K. S. and Mai, P. M., 2014, “Did a submarine landslide contribute to the 2011 Tohoku tsunami?”, Marine Geology, 357, 344-361, doi:10.1016/j.margeo.2014.09.043

Derakhti, M. and Kirby, J. T., 2014, “Bubble entrainment and liquid-bubble interaction under unsteady breaking waves”, Journal of Fluid Mechanics, 761, 464-506, doi:10.1017/jfm.2014.637

Morteza Derakhti and James T. Kirby (2014). Bubble entrainment and liquid–bubble interaction under unsteady breaking waves. Journal of Fluid Mechanics, 761, pp 464-506 doi:10.1017/jfm.2014.637

Xie Shengbai, and Archer Cristina (2014), Self-similarity and turbulence characteristics of wind turbine wakes via large-eddy simulation, Wind Energ., doi: 10.1002/we.1792

Zhou, Z., J. Sangermano, T.-J. Hsu, and F. C. K. Ting (2014), A numerical investigation of wave-breaking induced turbulent coherent structure under a solitary wave, J. Geophys. Res. Oceans, 119, doi:10.1002/2014JC009854.

Severin T., Conan P., Durrieu de Madron X., Houpert L, Oliver M. J., Oriol L., Caparros J., Ghiglione J. F., Pujo-Pay M. 2014. Impact of open-ocean convection on nutrients, phytoplankton biomass and activity. Deep-Sea Research I. doi: 10.1016/j.dsr.2014.07.015

2014 Presentations

Oliver, M. J., Fox, D. A., Kohut, J. Manedrson, J. Irwin, A. (2014) A Satellite Driven Dynamic Biome Product to Assist in Fisheries Management and Marine Spatial Planning. Annual Meeting of the Mid-Atlantic Chapter of the American Fisheries Society. Lewes, Delaware.

Breece, M. W., Fox, D. A., Dunton, K., Oliver, M. (2014) Identifying Marine Habitat Preferences for Atlantic Sturgeon Using Auvs, Satellites, and Telemetry. 144th National American Fisheries Society. Quebec City, Canada.

Breece, M. W., Fox, D. A., Dunton, K., Oliver, M. Identifying Marine Habitat Preferences for Atlantic Sturgeon Using Auvs, Satellites, and Telemetry. Annual Meeting of the Mid-Atlantic Chapter of the American Fisheries Society. Lewes, Delaware.

Breece*, M. W., Haulsee*, D. E., Fox, D, A, Oliver, M. J. (2014) Integration of Satellite, glider and biotelemetry observations to protect endangered. NASA Biodiversity and Ecological Forecasting Team Meeting, Silver Spring, MD.

Breece*, M. W., Oliver, M. J., Dunton, K. J., Fox, D. A. (2014) Using Satellites and AUVS in and Integrated Ocean Observatory to Identify Atlantic Sturgeon Habitat. Ocean Sciences Meeting, Honolulu, HI.

2013 Publications

Kirby, J. T., Shi, F., Tehranirad, B., Harris, J. C. and Grilli, S. T., 2013, “Dispersive tsunami waves in the ocean: model equations and sensitivity to dispersion and Coriolis effects”, Ocean Modelling, 62, 39-55. (pdf).

Archer, C. L., S. Mirzaeisefat, and S. Lee (2013), Quantifying the sensitivity of wind farm performance to array layout options using large-eddy simulation, Geophys. Res. Lett., 40, 4963–4970, doi:10.1002/grl.50911.

Kukulka, T., A.J. Plueddemann, P. P. Sullivan, Inhibited upper ocean restratification in nonequilibrium swell conditions, Geophys. Res. Lett., 40, doi:10.1002/grl.50708, 2013. [pdf]

Oliver, M. J., Breece*, M. W., Fox, D. A., Haulsee*, D., Kohut, J. T., Manderson, J., Savoy, T. 2013. Shrinking the Haystack: Using an AUV in an Integrated Ocean Observatory to Map Atlantic Sturgeon in the Coastal Ocean. Fisheries, doi:10.1080/03632415.2013.782861

Voynova*, Y. G., Oliver, M. J., Sharp, J. H. 2013. Wind to Zooplankton: Ecosystem-wide Influence of Seasonal Wind-Driven Upwelling in and around the Delaware Bay. Journal of Geophysical Research. doi: 10.1002/2013JC008793

Chowdhury, S. C., Haque, B. Z., Gillespie, J. W., Chantawansri, T. L., Rosch, T., & Karkkainen, R. L. (2013). Molecular simulations of silica surface in presence of water. In 28th Annual Technical Conference of the American Society for Composites 2013, ASC 2013 (Vol. 2, pp. 1665-1676). https://miami.pure.elsevier.com/en/publications/molecular-simulations-of-silica-surface-in-presence-of-water

2013 Presentations

Breece*, M. W., M. J. Oliver, K. J. Dunton, and D. A. Fox. (2013) Testing Atlantic sturgeon spring habitat selection with an autonomous underwater vehicle. Annual meeting of the Mid-Atlantic Chapter of the American Fisheries Society, Tuckerton, NJ.

Breece*, M. W., M. J. Oliver, K. J. Dunton, and D. A. Fox. (2013) Dynamic environments, dynamic sampling: using gliders, satellites and transmitters to determine Atlantic sturgeon habitat selection in the mid-Atlantic Bight. 7th International Symposium on Sturgeon. Naniamo, Canada, BC.

Breece*, M. W., Haulsee*, D. E., Fox, D, A, Oliver, M. J. (2013) Testing Habitat Associations of Atlantic Sturgeon Using Remote Sensing and Acoustic Biotelemetry NASA Biodiversity and Ecological Forecasting Team Meeting, April 23-25, 2013, Arlington, VA.

2012 Publications

Kukulka, T., K. Brunner, Passive buoyant tracers in the ocean surface boundary layer: I. Influence of equilibrium wind-waves on vertical distributions (accepted in J. Geophys. Res.) [pdf]

Mutryn F.M., E.M. Brannick, W. Fu, W.R. Lee, B. Abasht. Characterization of a novel chicken muscle disorder through differential gene expression and pathway analysis using RNA-sequencing. BMC Genomics. [In Press]

2011 Publications

Manderson, J., Palamara, L., Kohut, J., Oliver, M. J. 2011. Ocean Observatory Data are Useful for Regional Habitat Modeling of Species with Different Vertical Habitat Preferences, Marine Ecology Progress Series, Vol 438, 1-17, doi:10.3354/meps09308. FEATURED ARTICLE