53 citations · 136 across the 6 of their papers we have counts for
6 papers
Large strain micromechanics of thermoplastic elastomers with random microstructures
Hansohl Cho, Jaehee Lee, Jehoon Moon +4
Thermoplastic polyurethanes (TPU) are block copolymeric materials composed of plastomeric "hard" and elastomeric "soft" domains, by which they exhibit highly resilient yet dissipat…
Augmenting Control over Exploration Space in Molecular Dynamics Simulators to Streamline De Novo Analysis through Generative Control Policies
Paloma Gonzalez-Rojas, Andrew Emmel, Luis Martinez +2
This study introduces the P5 model - a foundational method that utilizes reinforcement learning (RL) to augment control, effectiveness, and scalability in molecular dynamics simula…
A polyurethane-urea elastomer at low to extreme strain rates
Jaehee Lee, David Veysset, Alex J. Hsieh +2
A finite strain nonlinear constitutive model is presented to study the extreme mechanical behavior of a polyurethane-urea well suited for many engineering applications. The microme…
Discretized Wiener-Khinchin theorem for Fourier-Laplace transformation: application to molecular simulations
Akira Koyama, David A. Nicholson, Marat Andreev +3
The Wiener-Khinchin theorem for the Fourier-Laplace transformation (WKT-FLT) provides a robust method to calculate numerically single-side Fourier transforms of arbitrary autocorre…
Multiresolution analysis in statistical mechanics. I. Using wavelets to calculate thermodynamic properties
Ahmed E. Ismail, Gregory C. Rutledge, George Stephanopoulos
The wavelet transform, a family of orthonormal bases, is introduced as a technique for performing multiresolution analysis in statistical mechanics. The wavelet transform is a hier…
Multiresolution analysis in statistical mechanics. II. The wavelet transform as a basis for Monte Carlo simulations on lattices
Ahmed E. Ismail, George Stephanopoulos, Gregory C. Rutledge
In this paper, we extend our analysis of lattice systems using the wavelet transform to systems for which exact enumeration is impractical. For such systems, we illustrate a wavele…