Numerical modeling of molecular electrostatics and solvation in USM

People

Principal investigator

Christopher D. Cooper

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BS, PEng (USM), MS, PhD (Boston University) Mechanical Engineering. CV.

PhD students

Sergio Urzúa

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BS, PEng, MS, Mechanical Engineering (USM).
Topic: protein-surface interaction

Mauricio Guerrero

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BS, PEng, MS, Mechanical Engineering (USM).
Topic: FEM-BEM coupling

MS students

Martín Achondo

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BS, Mechanical Engineering (USM).
Topic: physics-informed neural networks for the PB equation

Eduardo Hasbún

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BS, Mechanical Engineering (USM).
Topic: convolutional neural networks for the PB equation

Willy Menacho

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BS, Physics (UMSA, Bolivia).
Topic: protein-RNA interaction

Miguel Godoy

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BS, PEng, Mechanical Engineering (USM).
Topic: uncertainty quantification, PBJ development

Undergraduate students

Gonzalo Rojas

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Topic: nonlinear PB

Nehemías Sandoval

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Topic: ML for adaptive mesh refinement

Past members

  • Byron Vega (BS, PEng). Topic: linear/nonlinear PB
  • Camila Pérez (BS, PEng). Topic: linear/nonlinear PB
  • Manuel Ruiz (visiting PhD student). Topic: hydrogenase-surface interaction
  • Ian Addison-Smith (BS, PEng). Topic: electrostatic force
  • Ignacio Muñoz (BS, PEng). Topic: nonpolar solvation free energy
  • Elmo Begazo (BS, PEng). Topic: adaptive mesh refinement
  • Stefan Search (BS, Peng). Topic: PBJ software development, boundary integral formulations
  • Kenneth Styles (BS, PEng). Topic: SLIC, PBJ software development.
  • Felipe Vicencio (BS, PEng). Topic: polarizable force fields.
  • Matías Martínez (MS). Topic: virus-scale simulations, parallel computing
  • Javier Gómez (MS). Topic: Stokes flow in biological systems
  • Rodrigo Huencho (BS). Topic: dielectric constant parameterization
  • Valentina Oyarzún (BS, PEng). Topic: nonpolar solvation
  • Joaquín Echaíz (BS, PEng). Topic: nonpolar solvation
  • Vicente Ramm (BS, PEng). Topic: error estimation, adaptive mesh refinement
  • Nicolás Espinoza (BS, PEng). Topic: membrane proteins

Collaborators

  • Lorena A. Barba (GWU, US)
  • Jaydeep P. Bardhan (PNNL, US)
  • Timo Betcke (UCL, UK)
  • Michal Bosy (Kingston, UK)
  • Jehanzeb H. Chaudhry (UNM, US)
  • Marcia Fenley (FSU, US)
  • Carlos D. García (Clemson, US)
  • Horacio V. Guzmán (UAM, Spain and JZI, Slovenia)
  • Elwin van’t Wout (PUC, Chile)