Center for Integrated Nanotechnologies

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Gary S. Grest

Gary  Grest

Email
Phone (505) 844-3261

Capabilities

  • CINT
  • Prediction: theory, modeling and computational techniques

Expertise

Theory and Simulation of Nanoscale Phenomena

Education

Ph.D., Physics, Louisiana State University, 1974

M.S., Physics, Louisiana State University, 1973

B.S., Physics, Louisiana State University, 1971

 

Professional Appointments

Center for Integrated Nanotechnologies, Theory and Simulation of Nanoscale Phenomena Thrust Leader

Distinguished Member of Technical Staff, Sandia National Laboratories, 1998-present

 

Professional Societies

Editor, Physical Review E, 2002 - 2012

Member of the National Academy of Engineering, 2008

Divisional Associate Editor, Physical Review Letters, 1994-2000

Member-at-Large - Executive Committee of the Division of Condensed Matter Physics, American Physical Society, 1992-1995

 

Awards

Fellow - American Physical Society - 1989

Senior Humboldt Foundation Fellowship - 2002

American Physical Society Aneesur Rahman Prize in Computational Physics - 2008

Member of the National Academy of Engineering - 2008

American Physical Society Polymer Physics Prize - 2011

Hall of Distinction, Louisiana State University, College of Science – 2013

 

Publications

“Nanoparticle Diffusion in Polymer Nanocomposites”, Jagannathan T. Kalathi, Umi Yamamoto, Kenneth
S. Schweizer, Gary S. Grest, and Sanat K. Kumar, Phys. Rev. Lett. 112, 108301 (2014).

“Aggregation of Responsively-Shaped Coated Nanoparticles at Water/Vapor Interfaces”, J. Matthew D.
Lane and Gary S. Grest, Nanoscale 6, 5132 (2014).

“Coarse-Graining Atatic Polystyrene and Its Analogues”, Anupriya Agrawal, Dipak Aryal, Dvora Perahia,
Ting Ge, and Gary S. Grest, Macromolecules 47, 3210 (2014).

“Coating Thickness and Coverage Effects on the Forces between Silica Nanoparticles in Water”, K. Michael Salerno, Ahmed E. Ismal, J. Matthew D. Lane, and Gary S. Grest, J. Chem. Phys. 140, 194904 (2014).

“Particle Dynamics Modeling Methods for Colloid Suspensions”, Dan S. Bolintineanu, Gary S. Grest, Jeremy B. Lechman, Flint Pierce, Steven J. Plimpton, and P. Randall Schunk, Comp. Part. Mech. 1, 321 (2014).

“Interfacial Response of Semifluorinated Multi-block co-Polymers”, Anupriya Agrawal, Dipak Aryal, Gary
S. Grest and Dvora Perahia, in Handbook of Fluropolymer Science and Technology, edited by Dennis W.
Smith Jr., Scott T. Iacono, and Suresh Iyer (Wiley, Hoboken, NJ, 2014), p. 43.

“Healing of Polymer Interfaces: Interfacial Dynamics, Entanglements, and Strength”, Ting Ge, Mark O.
Robbins, Dvora Perahia, and Gary S. Grest, Phys. Rev. E 90, 012602 (2014).

“Phase Behavior of a Single Structured Ionomer Chain in Solution”, Dipak Aryal, Thusitha Etampawala,
Dvora Perahia, and Gary S. Grest, Macromolecular Theory Sim. 23, 523 (2014).

“Rouse Mode Analysis of Chain Relaxation in Homopolymer Melts”, Jagannathan T. Kalathi, Sanat K.
Kumar, Michael Rubinstein, and Gary S. Grest, Macromolecules 47, 6925 (2014).

“Entanglements and Tensile Fracture of Polymer Interfaces”, Ting Ge, Mark O. Robbins, and Gary S. Grest,
Macromolecules 47, 6982 (2014).

“Effects of Functional Groups and Ionization on the Structure of Alkanethiol Coated Gold Nanoparticles”,
Dan S. Bolintineanu, J. Matthew D. Lane, and Gary S. Grest, Langmuir 30, 11075 (2014).

“High Strength, Molecularly Thin Nanoparticle Membranes”, K. Michael Salerno, J. Matthew D. Lane, Dan
S. Bolintineanu, and Gary S. Grest, Phys. Rev. Lett. 113, 258301 (2014).

“Liquid-Vapor Interface of the Stockmayer Fluid in a Uniform Magnetic Field”, Stan G. Moore, Mark J.
Stevens, and Gary S. Grest, Phys. Rev. E 91, 022309 (2015).

“Opportunities in Theoretical and Computational Polymeric Materials and Soft Matter”, Andrea J. Liu,
Gary S. Grest, M. Cristina Marchetti, Gregory M. Grason, Mark O. Robbins, Glenn H. Fredrickson, Michael
Rubinstein and Monica Olvera de la Cruz, Soft Matter 11, 2326 (2015).

“Rouse Mode Analysis of Chain Relaxation in Polymer Nanocomposites”, Jagannathan T. Kalathi, Sanat
K. Kumar, Michael Rubinstein, and Gary S. Grest, Soft Matter 11, 4123 (2015).

“Ligand Structure and Mechanical Properties of Single-Nanoparticle Thick Membranes”, K. Michael Salerno,
Dan S. Bolintineanu, J. Matthew D. Lane, and Gary S. Grest, Phys. Rev. E 91, 062403 (2015).

“Temperature Effects on Nanostructure and Mechanical Properties of Single-Nanoparticle Thick Mem-
branes”, K. Michael Salerno and Gary S. Grest, Faraday Discussions 181, 339 (2015).

“Clustering Morphology in Ionic Polymers: Molecular Dynamics Simulations”, Anupriya Agrawal, Dvora
Perahia, and Gary S. Grest, Phys. Rev. E 92, 022601 (2015).

“Diffusion in Jammed Particle Packs”, Dan S. Bolintineanu, Gary S. Grest, Jeremy B. Lechman, and
Leonardo E. Silbert, Phys. Rev. Lett. 115, 088002 (2015).

“Solvent Controlled Ion Association in Structured Copolymers: Molecular Dynamics Simulations in Dilute
Solutions”, Dipak Aryal, Dvora Perahia, and Gary S. Grest, J. Chem. Phys. 143, 124905 (2015).

“Dynamics of Polydots, Soft Luminescent Polymeric Nanoparticles”, Sabina Maskey, Naresh C. Osti, Gary
S. Grest and Dvora Perahia, submitted to Macromolecules (2015).

“Reentrant Equilibrium Disordering in Nanoparticle-Polymer Mixtures”, Dong Meng, Sanat K. Kumar, Gary
S. Grest, Nathan A. Mahynski, Athanassios Z. Panagiotopoulos, submitted for publication (2015).

“Counterion Impact on Cluster Morphology and Viscosity of Sulfonated Polystyrene Melts: Computational
Study”, Anupriya Agrawal, Dvora Perahia, and Gary S. Grest, submitted for publication (2015).

“Crazing of Tethered Nanoparticles Polymer Nanocomposites”, Dong Meng, Sanat K. Kumar, Ting Ge,
Mark O. Robbins, and Gary S. Grest, submitted for publication (2016).

“Conformation of Ionizable Poly para Phenylene Ethynylene in Dilute Solutions”, Sidath Wijesinghe, Sabina Maskey, Dvora Perahia, and Gary S. Grest, J. Polym. Sci. Part B: Polym. Phys. 54, 582 (2016).

“Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies”, K. Michael Salerno, Anupriya Agrawal, Dvora Perahia, and Gary S. Grest, Phys. Rev. Lett. 116, 058302 (2016).

“Structure of Rigid Polymers Confined to Nanoparticles Molecular Dynamics Simulations Insight”, Sabina Maskey, J. Matthew D. Lane, Dvora Perahia and Gary S. Grest, Langmuir 32, 2102 (2016).

“Tension Amplification in Tethered Bottle-Brush Polymer Brushes”, Gary M. Leuty, Mesfin Tsige, Gary S. Grest, and Michael Rubinstein, Macromolecules 49, 1950 (2016).

“Dynamics of Polydots, Soft Luminescent Polymeric Nanoparticles”, Sabina Maskey, Naresh C. Osti, Gary S. Grest and Dvora Perahia, Macromolecules 49, 2399 (2016).

“Cluster Morphology-Polymer Dynamics Correlations in Sulfonated Polystyrene Melts: Computational Study”, Anupriya Agrawal, Dvora Perahia, and Gary S. Grest, Phys. Rev. Lett. 116, 158001 (2016).

“Dispersing Nanoparticles in a Polymer Film via Solvent Evaporation”, Shengfeng Cheng and Gary S. Grest, ACS Macro Lett. 5, 694 (2016).

“Crazing of Tethered Nanoparticles Polymer Nanocomposites”, Dong Meng, Sanat K. Kumar, Ting Ge, Mark O. Robbins, and Gary S. Grest, J. Chem. Phys. 145, 094902 (2016).

“Dynamics in Entangled Polyethylene Melts”, K. Michael Salerno, Anupriya Agrawal, Brandon L. Peters, Dvora Perahia, and Gary S. Grest, Euro. J. Phys. Special Topics 225, 1707 (2016).

“Polymer Entanglement Dynamics: Role of Attractive Interactions”, Gary S. Grest, J. Chem. Phys. 145, 141101(2016).

“End-Anchored Polymers in Good Solvent from the Single Chain Limit to High Anchoring Densities”, Mark D. Whitmore, Gary S. Grest, Jack F. Douglas Jr., Michael S. Kent and T. Suo, J. Chem. Phys. 145 (2016), in press.

“Reentrant Equilibrium Disordering in Nanoparticle-Polymer Mixtures”, Sanat K. Kumar, Dong Meng, Gary S. Grest, Nathan A. Mahynski, and Athanassios Z. Panagiotopoulos, npj Computational Materials (2016), in press.

“Association of a Multifunctional Ionic Block Copolymer in a Selective Solvent”, Thusitha Etampawala, Naresh C. Osti, Dipak Aryal, Lilin He, William T. Heller, Carl L. Willis, Gary S. Grest, and Dvora Perahia, J. Chem. Phys. 145 (2016), in press.