3 papers
math.NA2020
Efficient mesh refinement for the Poisson-Boltzmann equation with boundary elements
Vicente Ramm, Jehanzeb H. Chaudhry, Christopher D. Cooper
The Poisson-Boltzmann equation is a widely used model to study the electrostatics in molecular solvation. Its numerical solution using a boundary integral formulation requires a me…
physics.chem-ph2020
A Simple Electrostatic Model for the Hard-Sphere Solute Component of Nonpolar Solvation
Christopher D. Cooper, Jaydeep P. Bardhan
We propose a new model for estimating the free energy of forming a molecular cavity in a solvent, by assuming this energy is dominated by the electrostatic energy associated with c…
physics.comp-ph2018
Computational nanoplasmonics in the quasistatic limit for biosensing applications
Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba
This work uses the long-wavelength limit to compute LSPR response of biosensors, expanding the open-source PyGBe code to compute the extinction cross-section of metallic nanopartic…