Publications
 F.G. VanGessel and P.W. Chung, Phonon backscatter, trapping, and misalignment effects on microscale thermal conductance below the Casimir limit,” International Journal of Heat and Mas Transfer, 128, 807816, (2019), DOI:10.1016/j.ijheatmasstransfer.2018.09.028.
 Z Boukouvalas, DC Elton, PW Chung, MD Fuge, Independent Vector Analysis for Data Fusion Prior to Molecular Property Prediction with Machine Learning,
arXiv preprint arXiv:1811.00628 (preprint for poster at Neural Information Processing Systems NIPS 2018 Workshop on Machine Learning for Molecules and Materials)

F.G. VanGessel, G. Kumar, D.C. Elton, P.W. Chung, “A Phonon Boltzmann Study of Microscale Thermal Transport in \alphaRDX CookOff,” arXiv preprint arXiv preprint arXiv:1808.08295. (in Proceedings of the 2018 International Detonation Symposium, Cambridge, MD)
 B.C. Barnes, D.C. Elton, Z. Boukouvalas, D.C.E. Taylor, W.D. Mattson, M.D. Fuge, P.W. Chung, “Machine Learning of Energetic Materials Properties,” arXiv preprint arXiv:1807.06156. (in Proceedings of the 2018 International Detonation Symposium, Cambridge, MD)
 D.C Elton, Z. Boukouvalas, M.S. Butrico, M.D. Fuge, P.W. Chung, “Applying machine learning techniques to predict the properties of energetic materials”, Scientific Reports 8, 9059, (2018). DOI:10.1038/s4159801827344x
 F.G. VanGessel, J. Peng, and P.W. Chung, “A review of computational phononics: the bulk, interfaces, and surfaces,” Journal of Materials Science, 93 (2017), DOI:10.1007/s1085301717288.
 J. Peng, P.W. Chung, M. Dubey, R.R. Namburu, “Tunable electron and phonon properties of folded singlelayer molybdenum disulfide,” NanoResearch, (2017) DOI:10.1007/s1227401717705.
 F.G. VanGessel and P.W. Chung, “An Anisotropic Full Brillouin Zone Model for the Phonon Boltzmann Transport Equation,” Computer Methods in Applied Mechanics and Engineering, 317 (2017), pp. 10121036, DOI:10.1016/j.cma.2017.01.010.
 R. Weisburgh and P.W. Chung, “Systematically Composable Operators for Lattice Defect Dynamics,” International Journal of Solids and Structures, DOI:10.1016/j.ijsolstr.2017.01.029, 2017
 J.E. Andrews, Y. Wang, S. Sinha, P.W. Chung, S Das, “RoughnessInduced Chemical Heterogeneity Leads to Large Hydrophobicity in WettingTranslucent Nanostructures”, The Journal of Physical Chemistry C 121 (18), 1001010017. DOI: 10.1021/acs.jpcc.7b02222
 J.E. Andrews, S. Sinha, P.W. Chung, S. Das, “Wetting Dynamics of Water Nanodrop on Graphene,” Phys. Chem. Chem. Phys., 2016, DOI:10.1039/C6CP01936F.
 CC. Wu, S. Aubry, A. Arsenlis, and P.W. Chung, “Binary dislocation junction formation and strength in hexagonal closepacked crystals,” Int. J. Plasticity, 2015, doi:10.1016/j.ijplas.2015.12.003
 J. Crone, P. W. Chung, K. Leiter, J. Knap, S. Aubry, G. Hommes, and A. Arsenlis, “A multiply parallel implementation of finite elementbased discrete dislocation dynamics for arbitrary geometries,” Modelling and Simulation in Materials Science and Engineering, 22, 035014, 2014.
 J. Solomon, P. W. Chung, D. Srivastava, E. Darve, “Method and Advantages of Genetic Algorithms in Parameterization of Interatomic Potentials: MetalOxides,” Computational Materials Science, 81, 453465, 2014.
 M. Shahzamanian, T. Tadepalli, A.M. Rajendran, W. D. Hodo, R. Mohan, P. W. Chung, and J. J. Ramsey, “Representative Volume Element Based Modeling of Cementitious Materials,” Journal of Engineering Materials and Technology – Transactions of ASME, 136, 011007, 2014.
 L.B. Munday, R. Mitchell, J. Knap, and P. W. Chung, “Role of molecule flexibility on the nucleation of dislocations in molecular crystals,” Applied Physics Letters, 103, 151911, 2013.
 N. Mathew, C. Picu, and P. W. Chung, “Peierls Stress of Dislocations in Molecular Crystal Cyclotrimethylene Trinitramine,” Journal of Physical Chemistry A, 117, 53265334, 2013.
 N.S. Weingarten and P. W. Chung, “aType edge dislocation mobility in wurtzite GaN using molecular dynamics,” Scripta Materialia, 69, 311314, 2013.
 B. Kraczek and P. W. Chung, “Investigation of direct and indirect phononmediated bond excitation in alphaRDX,” The Journal of Chemical Physics, 138, 074505, 2013.
 C.C. Wu, P. W. Chung, S. Aubry, L. B. Munday, and A. Arsenlis, “On the strength of binary junctions in hexagonal closepacked crystals,” Acta Materialia, 61, 34223431, 2013.
 L.B. Munday, S. Solares, and P. W. Chung, “Generalized stacking fault energy surfaces in the molecular crystal alphaRDX,” Philosophical Magazine, 92, 30363050, 2012.
 B.J. Henz, P.W. Chung, J. W. Andzelm, T.L. Chantawansri, J.L. Lenhart, and F.L. Beyer, “Determination of Binding Energy and Solubility Parameters for Functionalized Gold Nanoparticles by Molecular Dynamics Simulation,” Langmuir, 27, 78367842, 2011.
 Z. Zhang, A. Chatterjee, C. Grein, A. J. Ciani, and P. W. Chung, “Atomicscale modeling of InxGa1xN quantum dot selfassembly,” Journal of Vacuum Science & Technology B, 29, 03C133, 2011.
 Izvekov, P. W. Chung, and B. M. Rice, “Nonequilibrium molecular dynamics simulation study of heat transport in RDX,” International Journal of Heat and Mass Transfer, 54, 56235632, 2011.
 S. Izvekov, P. W. Chung and B. M. Rice, “Particlebased multiscale coarse graining with densitydependent potentials: Application to molecular crystals,” Journal of Chemical Physics, 135, 044112, 2011.
 J.C. Crone, J. Knap, P. W. Chung, and B. M. Rice, “Role of Microstructure in the Initiation of NiAl Reactive Multilayers,” Applied Physics Letters, 98, 141910, 2011.
 L.B. Munday, P. W. Chung, B. M. Rice, and S. Solares, “Simulations of High Pressure Phases in RDX,” The Journal of Physical Chemistry B, 115, 43784386, 2011.
 Z. Zhang, A. Chatterjee, C. Grein, A. J. Ciani, and P. W. Chung, “Molecular Dynamics Simulation of MBE Growth of CdTe/ZnTe/Si,” Journal of Electronic Materials, 40, 109121, 2011.
 A. Ciani and P. W. Chung, “Simulations of Dislocations in CdZnTe/SL/Si Substrates,” Journal of Electronic Materials, 39, 10631069, 2010.
 J.J. Ramsey, E. Pan, P. W. Chung, and Z. M. Wang, “Superlattice Growth via MBE and Green’s Function Techniques,” Nanoscale Research Letters, 5, 12721278, 2010.
 S. Izvekov, P. W. Chung and B. M. Rice, “The multiscale coarsegraining method: Assessing its accuracy and introducing density dependent coarsegrain potentials,” Journal of Chemical Physics, 133, 064109, 2010.
 X. Wang, E. Pan, and P. W. Chung, “Misfit dislocation dipoles in wire composite solids,” International Journal of Plasticity, 26, 14151420, 2010.
 E. Pan, Y. Zou, P. W. Chung, and Y. Zhang, “Interlayer correlation of embedded quantumdot arrays through their surface strain energy distributions,” Physical Review B, 80, 073302, 2009.
 X. Wang, E. Pan, and P. W. Chung, “Some basic problems of anisotropic bimaterials with a viscoelastic interface,” International Journal of Solids and Structures, 46, 37253733, 2009.
 E. Pan, Y. Zou, P. W. Chung, and J. D. Albrecht, “Straininduced variations of electronic energy band edges of embedded semiconductor quantum dots in halfspace substrates,” Journal of Applied Physics, 106, 073504, 2009.
 X. Wang, E. Pan and P. W. Chung, “On a SemiInfinite Crack Penetrating a Piezoelectric Circular Inhomogeneity with a Viscous Interface,” International Journal of Solids and Structures, 46, 203216, 2009.
 J.J. Ramsey, E. Pan and P. W. Chung “Modeling of Strain Fields Quantum Wires with Continuum Mechanics Methods and Molecular Statics,” Journal of Physics: Condensed Matter, v. 20, 485215, 2008.
 J.D. Clayton, P. W. Chung, M. A. Grinfeld, and W. D. Nothwang, “Kinematics, electromechanics, and kinetics of dielectric and piezoelectric crystals with lattice defects,” International Journal of Engineering Science, 46, 1030, 2008.
 J.D. Clayton, P. W. Chung, M. A. Grinfeld, and W. D. Nothwang, “Continuum modeling of charged vacancy migration in elastic dielectric solids, with application to perovskite thin films,” Mechanics Research Communications, 35, 5764, 2008.
 E. Pan, Y. Zhang, P. W. Chung and M. Denda, “Strain energy on the surface of an anisotropic halfspace substrate: effect of quantumdot shape and depth,” CMESComputer Modeling in Engineering and Science, 24, 157168, 2008.
 E. Pan, Y. Zhang, and P. W. Chung, “BEM calculation of strain energy density and relative strain energy in QWR nanostructures,” Engineering Analysis with Boundary Elements, 32, 328335, 2008.
 E. Pan, M. Sun, P. W. Chung, and R. Zhu, “Threedimensional kinetic Monte Carlo simulation of prepatterned quantumdot island growth,” Applied Physics Letters, 91, 193110, 2007.
 P.W. Chung and J. D. Clayton, “Multiscale Modeling of Point and Line Defects in Cubic Lattices,” International Journal for Multiscale Computational Engineering, 5, 203226, 2007.
 J. Andzelm, F. L. Beyer, J. Snyder, and P. W. Chung, “Multiscale Simulations of Triblock Copolymers,” International Journal of Multiscale Computational Engineering, 5, 167179, 2007.
 C. Fulk, W. Walkosz, A. Chatterjee, S. Ögüt, C. H. Grein, and P. W. Chung, “First Principles Calculation of StillingerWeber Potential Parameters for InN,” Journal of Vacuum Science and Technology A, 26, 193197, 2007.
 R. Zhu, E. Pan, and P. W. Chung, “Fast multiscale kinetic Monte Carlo simulations of threedimensional selfassembled quantum dot islands,” Physical Review B, 75, 205339, 2006.
 R. Zhu, E. Pan, P. W. Chung, X. Cai, K.M. Liew, and A. Buldum, “Atomistic Calculation of Elastic Moduli in Strained Silicon,” Semiconductor Science and Technology, 21, 906911, 2006.
 E. Pan, R. Zhu, and P. W. Chung, “On the correlation between the selforganized island pattern and substrate elastic anisotropy,” Journal of Applied Physics, 100, 013527, 2006.
 P.W. Chung, “Theoretical prediction of stressinduced phase transformations of the second kind in graphene,” Physical Review B, 73, 075433, 2006.
 J.D. Clayton and P. W. Chung, “An atomistictocontinuum framework for nonlinear crystal mechanics based on asymptotic homogenization,” Journal of the Mechanics and Physics of Solids, 54, 16041639, 2006.
 R.R. Valisetty, P. W. Chung and R.R. Namburu, “Scalable computing for the transient elastoplastic impact analysis of composite armor using the homogenization method,” Computers & Structures, 84, 4960, 2005.
 E. Pan, R. Zhu and P. W. Chung, “Effect of elastic strain energy on selforganized pattern formation,” Proceedings of the Institution of Mechanical Engineers, Part N: Journal of Nanoengineering and Nanosystems, 218, 7182, 2004.
 P.W. Chung, “Computational Method for Atomistic Homogenization of Nanopatterned Point Defect Structures,” International Journal for Numerical Methods in Engineering, 60, 833859, 2004.
 P.W. Chung, K. K. Tamma and R. R. Namburu “A Computational Approach for MultiScale Analysis of Heterogeneous ElastoPlastic Media Subjected to Short Duration Loads,” International Journal for Numerical Methods in Engineering, 59, 825848, 2004.
 P.W. Chung, R. R. Namburu and B. J. Henz, “A Lattice StaticsBased Finite Element Method,” CMESComputer Modeling in Engineering & Sciences, 5, 4562, 2004.
 P.W. Chung and R. R. Namburu, “On a Formulation for a Multiscale AtomisticContinuum Homogenization Method,” International Journal of Solids and Structures, 40, 10, 25632588, 2003.
 B.J. Henz, K. K. Tamma, R. Kanapady, N.D. Ngo, and P.W. Chung, “Process modeling of composites by resin transfer molding: practical applications of sensitivity analysis for isothermal considerations,” International Journal of Numerical Methods for Heat & Fluid Flow, 13, 415447, 2003.
 P.W. Chung, K. K. Tamma and R. R. Namburu, “Asymptotic Expansion Homogenization for Heterogeneous Media: Computational Issues and Applications,” Composites Part A: Applied Science and Manufacturing, 32, 12911301, 2001.
 P.W. Chung, K. K. Tamma and R. R. Namburu, “On the Homogenization of Temperature Dependent Thermal Conductivity in Composite Materials,” Journal of Thermophysics and Heat Transfer, v. 15, 1017, 2001.
 P.W. Chung, K. K. Tamma and R. R. Namburu, “Micro/macro homogenization approach for viscoelastic creep analysis with dissipative correctors for heterogeneous wovenfabric layered media,” Composites Science and Technology, 60, 22332253, 2000.
 P.W. Chung, K. K. Tamma and R. R. Namburu, “Finite element thermoviscoelastic creep approach for heterogeneous structures with dissipative correctors,” Finite Elements in Analysis and Design, 36, 279313, 2000.
 P.W. Chung, K. K. Tamma and R. R. Namburu, “A finite element coupled thermoviscoelastic creep approach for heterogeneous structures,” Journal of Thermal Stresses, 23, 703729, 2000.
 P.W. Chung and K. K. Tamma, “Woven Fabric Composites: Developments in Engineering Bounds, Homogenization, and Applications,” International Journal for Numerical Methods in Engineering, 45, 17571790, 1999.
 N.D. Ngo, R. V. Mohan, P. W. Chung and K. K. Tamma, “Recent Developments encompassing nonisothermal/isothermal liquid composite molding process modeling/analysis: Physically accurate, computationally effective, and affordable simulations and validations,” Journal of Thermoplastic Composite Materials, 11, 493532, 1998.
 E.A. Thornton, D. X. Eby and P. W. Chung, “Torsional Buckling of the Hubble Space Telescope Solar Arrays,” International Journal of Space Structures, 13, 6586, 1998.
Recent Conferences
 J. Peng and P. W. Chung, “Computational Study of Thermal Transport in Folded Molybdenum Disulphide (MoS2) Nanostructure,” ASME 2016 International Mechanical Engineering Conference & Exhibition, 2016, Phoenix, AZ.
 R. Weisburgh and P. W. Chung, “Atomic Operators for Phonon Bandgap Design,” ASME 2016 International Mechanical Engineering Conference & Exhibition, 2016, Phoenix, AZ.
 F. G. VanGessel and P.W. Chung, “Three Dimensional Anisotropic Brillouin Zone Boltzmann Transport Solver for Simulation of Fin Field Effect Transistor (FinFET) Arrays,” ASME 2016 International Mechanical Engineering Conference & Exhibition, 2016, Phoenix, AZ.
 J. Peng and P. W. Chung, “The electronic and thermal properties in the folds of MoS2”, 2016 Society of Engineering Sciences, College Park, MD.
 R. Weisburgh and P. W. Chung, “Linear Operators for Spectral Analysis and Design,” 2016 Society of Engineering Sciences, College Park, MD.
 R. Weisburgh and P.W. Chung, “Scalable, Composable Operators for Defect Analysis and Design,” 2016 American Physical Society March Meeting, Baltimore, MD.
 J. Peng and P.W. Chung, “Computational study of electronic and thermal properties of folded single layer molybdenum disulphide,” 2016 American Physical Society March Meeting, Baltimore, MD.
 F. G. VanGessel and P. W. Chung, “FullBand Microscale Heat Transfer Study of Fin Field Effect Transistor (FinFET) Designs,” ASME 2015 International Mechanical Engineering Conference & Exhibition, 2015, Houston, TX.
 B. Kraczek and P. W. Chung, “Phonon Mode Analysis of Bond Excitation in Small and Large Molecule Solid Explosives,” MRS Fall Meeting & Exhibit, Boston, Massachusetts, Dec, 2013.
 C.C. Wu and P. W. Chung, “A SemiEmpirical Approach for Accurate Dislocation Junction Strength of Any Hexagonal ClosePacked Crystal,” MRS Fall Meeting & Exhibit, Boston, Massachusetts, Dec, 2013.
 B. Kraczek and P. W. Chung, “Multiscale Thermal Modeling for Complex Materials,” APS March Meeting, Boston, Massachusetts, Mar, 2012
 B. Kraczek and P. W. Chung, “Quasiharmonic analysis of anisotropic statistical mechanics of shocked RDX“ 22^{nd} International Workshop on Computational Mechanics of Materials, Baltimore, Maryland, Sept, 2012.
Other Reports & Publications
 Computation Enabled Materials Discovery Symposium, 2015.
 CC. Wu, N. S. Weingarten, and P. W. Chung, “Cross slip of dislocation loops in GaN,” Physica Status Solidi (c), 11, 432436, 2014.
 P.W. Chung, “The Materials Difference,” Army AL&T Magazine, 7882, JanMar 2012.
 B. Kraczek and P. W. Chung, “POSTER: Quasiharmonic analysis of anisotropic statistical mechanics of shocked RDX,” Gordon Conference, Vermont, Jul, 2012.
 L.B. Munday, S. Solares, and P. W. Chung “POSTER: Generalized Stacking Fault Energy Surfaces in RDX,” Gordon Conference, Vermont, Jul, 2012.
 J.J. Ramsey and P. W. Chung, “Computing the Effects of Strain on Electronic States: A Survey of Methods and Issues”, ARLTR6287, 2012.
 K.A. Jones, A. J. Ciani, I. Batyrev, and P. W. Chung, “Modeling the Growth of Aluminum Gallium Nitride ((Al)GaN) Films Grown on Aluminum Nitride (AlN) Substrates,” ARLMR0770, 2011.
 P.W. Chung, A. D. Rollet, J. Larentzos, and J. Blaudeau, “An Overview of Mesoscale Modeling Software for Energetic Materials,” A534815, 2010.
 J.C. Crone, J. Knap, P. W. Chung and B. M. Rice, “The Effect of Misfit Strain on Ignition Temperature in NiAl Reactive Multilayers,” International Detonation Symposium, Coeur d’Alene, Idaho, 2010.
 L.B. Munday, P. W. Chung, B. M. Rice, S. Solares “Phase Transition Behavior and Defect Structures of RDX through Molecular Dynamics” International Detonation Symposium, Coeur d’Alene, Idaho, 2010.
 M. Sun, E. Pan and P. W. Chung “Threedimensional InAs/GaAs quantumdot islands size and density study using kinetic Monte Carlo simulation”, Quantum Dots, Particles and Nanoclusters VI, ed. Kurt G. Eyink, Frank Szmulowicz, Diana L. Huffaker, Proc. Of SPIE, Vol 7224, 722406, 2009.
 S.Creighton, P. W. Chung and J. D. Clayton, “Multiscale Modeling of Piezoelectric Materials,” ARLTR4651, 2008.
 J.C. Crone and P. W. Chung, “Modeling of Toroidal Ordering in Ferroelectric Nanodots,” ARLTR4165, 2007.
 J.C. Crone, S. Solares, and P. W. Chung, “Simulated Frequency and Force Modulation Atomic Force Microscopy on Soft Samples,” ARLTR4166, 2007.
 D.H. Kodan and P. W. Chung, “Simulating Photonic Band Gaps in Crystals,” ARLTR4167, 2007.
 J. D Clayton, P. W. Chung, M. W. Cole, J. Demaree, M. Greenfield, S. Hirsch, P. Joshi, and W. D. Nothwang, 2006. “Residual stress, defects, dielectric polarization, and thickness effects in ultrathin film barium strontium titanate,” Proceedings of Materials Science and Technology Conference, Cincinnati, OH, v 1, 27772784, Oct, 2006.
 P.W. Chung, J. D. Clayton, M. W. Cole, M. Grinfeld, P. Grinfeld, W. D. Nothwang, “Stress driven rearrangement instability of crystalline films with electromechanical interaction,” Materials Research Society Symposium Proceedings, 924, 97, 2006.
 J. Andzelm, J. Sloan, E. Napadensky, R. Beyer, J. Snyder, S. McKnight, and P. W. Chung “Multiscale modeling of polymer membranes for soldier protective clothing,” ADA480962, 2006.
 Y. Liang, R. Kanapady, and P. W. Chung, “Truncated NewtonRaphson Methods for Quasicontinuum Simulations,” ARLTR3791, 2006.
 R.R. Valisetty, P. W. Chung, and R. R. Namburu, “Scalable Coupling of Multiscale AEH and PARADYN Analyses for Impact Modeling,” ARLTR3512, 2005.
 M.J. Leamy, P. W. Chung, and R. R. Namburu, “Development of a NonPeriodic Homogenization Method for OneDimensional Continua,” ARLTR3197, 2004.
 P.W. Chung, “Whitepaper: A Transformation Capability Review of Total Army Analysis – Modeling and Process Continuous Improvement,” Logistics Transformation Task Force, Aug, 2002.
 M.J. Leamy, P.W. Chung, R.R. Namburu “On an exact mapping and a higher order born rule for use in analyzing graphene carbon nanotubes,” ARLTR3117, 2003.
 P.W. Chung and R. R. Namburu “Multiscale Methodology: From Atoms to Continuum,” ARLTR2645, 2002.
 P.W. Chung, R. R. Namburu, C. Cornwell, B. J. Henz, and J. A. Clarke, “Computational Method for AtomisticContinuum Homogenization,” ARLTR2894, 2002.
 B.J. Henz, K. K. Tamma, R. Kanapady, N. Ngo, and P. W. Chung, “Process Modeling of Composites by Resin Transfer Molding: Sensitivity Analysis for Isothermal Considerations,” ARLTR2686, 2002.
 R.R. Valisetty, R. R. Namburu, and P. W. Chung, “Scalable Implementation of ThreeDimensional Heterogeneous Media Subjected to Short Transient Impact Loads,” ARLTR2351, 2000.