Modeling Polymer Glass Transition Properties from Empirical Monomer Data with the SAFT-γ Mie Force Field

Amulya K. Pervaje , Joseph C. Tilly , David L. Inglefield , Richard J. Spontak
Macromolecules 51 ( 23) 9526 -9537

7
2018
Probing the Statistical Validity of the Ductile-to-Brittle Transition in Metallic Nanowires Using GPU Computing.

William R. French , Amulya K. Pervaje , Andrew P. Santos , Christopher R. Iacovella
Journal of Chemical Theory and Computation 9 ( 12) 5558 -5566

7
2013
Spectroscopic and Rheological Cross-Analysis of Polyester Polyol Cure Behavior: Role of Polyester Secondary Hydroxyl Content.

Joseph C. Tilly , Amulya K. Pervaje , David L. Inglefield , Erik E. Santiso
ACS omega 4 ( 1) 932 -939

13
2019
Thermomechanical and Free-Volume Properties of Polyester–Polyol Films for Coatings Applications: Role of Diol Composition

Joseph C. Tilly , Amulya K. Pervaje , David L. Inglefield , Andrew T. Detwiler
ACS Applied Polymer Materials 1 ( 9) 2398 -2406

3
2019
Molecular Simulations of Thermoset Polymers Implementing Theoretical Kinetics with Top-Down Coarse-Grained Models

Amulya K. Pervaje , Joseph C. Tilly , Andrew T. Detwiler , Richard J. Spontak
Macromolecules 53 ( 7) 2310 -2322

7
2020
Molecular simulation of polymers with a SAFT-γ Mie approach

Amulya K. Pervaje , Christopher C. Walker , Erik E. Santiso
Molecular Simulation 45 1223 -1241

4
2019
Investigating length-dependent failure modes of elongating gold nanowires via GPU computing

Amulya Pervaje , William R French , Christopher Iacovella , Peter T Cummings

Multiscale constitutive modeling of the mechanical properties of polypropylene fibers from molecular simulation data

Amulya K Pervaje , Melissa A Pasquinelli , Saad A Khan , Erik E Santiso
Macromolecules 55 ( 3) 728 -744

5
2022
Molecular Modeling of Mechanical Properties of Semicrystalline Polymer Fibers

Amulya K Pervaje , Melissa A Pasquinelli , Saad A Khan , Erik Santiso
2018 AIChE Annual Meeting

2018