Numerical modeling of molecular electrostatics and solvation in USM

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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

Felipe Vicencio

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BS, PEng, Mechanical Engineering (USM) Topic: polarizable force fields

Undergraduate students

Vicente Barrera

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Topic: PB calculations in electroflotation

Christian Herrera

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Topic: Protein-surface interaction

Ivan Ianiszewski

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Topic: dipolar PB

Francisca Silva

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Topic: Protein-surface interaction for biosensors

Joseline Villagrán

(co-guided with Harvey Zambrano)

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Topic: interfacial solvent

Gaspar Vuchetich

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Topic: dipolar PB

Gonzalo Rojas

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Topic: ML for adaptive mesh refinement

Past members

  • Eduardo Hasbún (MS). Topic: Convolutional neural networks to solve the Poisson equation
  • Nehemías Sandoval (BS, PEng). Topic: ML for adaptive mesh refinement
  • Willy Menacho (MS). Topic: electrostatics in viruses
  • Martín Achondo (MS). Topic: physics informed neural networks
  • 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.
  • Miguel Godoy (BS, PEng). Topic: uncertainty quantification, PBJ development.
  • 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)
  • Jaime Pizarro (USACH, Chile)
  • Elwin van’t Wout (PUC, Chile)