Using PINN to solve the PB equation. You can include experimental data too! New awesome paper from grad student Martín Achondo in collaboration with Zeb Chaudhry (UNM): doi.org/10.1021/acs.jc…
Beautiful collaboration that started as a random conversation between graduate students Sergio Urzúa and Scarlett Aguilera (USACH). Using PB to understand the role of pH in the design of electrochemical sensors! doi.org/10.1016/j.food…
Former student and first author of doi.org/10.1002/jcc.26…, Stefan Search, came into my office with 3D printed versions of the solvent-excluded surfaces used in our paper. They look so cool!
New paper out! We explored some of the challenges related with using diffused interfaces for the PB equation in molecular electrostatics. Turns out it is not that easy! First first-author paper for PhD student Mauricio Guerrero! dx.doi.org/10.1002/jcc.70…
A Christmas present! Overcoming some of the limitations of BEM in molecular electrostatics with the PB equation by coupling it with FEM. Just out! doi.org/10.1002/jcc.27…
📢 Estamos emocionados de presentar a Christopher Cooper, como uno de nuestros speakers de #PyConChile23.🇨🇱🐍
Acompáñanos en su charla en línea este Domingo 26 de noviembre. ¡Una sesión imperdible para los entusiastas de #Python!
Regístrate aquí:👇
pycon.cl
Which are the most accurate methods to calculate electrostatic forces with the Poisson-Boltzmann eq❓ What about comp. efficiency of those methods❓In our @NewPreprint we present a novel formulation to calculate E at the molecular surface and compare it to prev. methods... [1/2]
What are the factors affecting the redox activity of hydrogenases on electrodes? Manuel Ruiz (PhD student @polimi funded by @Conacyt_MX), @cooperchrisd, @guidoraos and coworkers have modeled them in their recent work: go.acs.org/3il
New paper out! Here, we study the electrostatic force of an AFM tip on a virus capsid. Big thanks to @whoratz and twitter-less @usantamaria student Ian Addison-Smith!
New paper out! Here, we study the electrostatic force of an AFM tip on a virus capsid. Big thanks to @whoratz and twitter-less @usantamaria student Ian Addison-Smith!
Experiments & computations meet to explain why the catalytic activity of trypsin-covered surfaces depends on an applied potential at adsorption, & to show the power of electrostatics to control how trypsin orients. @MicroAnalytic11 + @cooperchrisd labs
go.acs.org/1It
Big personal news, tweeps—I got a call from the Rector (Provost) of @usantamaria, my undergraduate alma mater, to personally congratulate me because the university decided to award me its greatest honor: the title of Doctor Honoris Causa
As part of the international evaluating scientific committee, it is my time to congratulate @_firion and his supervisor @cooperchrisd for the solid presentation of his thesis defense and a promising future work in #virusResearch!
Manuscript rejected without review. How's your day going?
😩
Here's the twist. They wanted us to to submit it as a software paper and archive our software in Mendeley. It's desk rejected as a regular paper, even if the journal has that track sciencedirect.com/journal/comput…
New preprint:
T. Wang, C. D. Cooper, T. Betcke, L. A. Barba
High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm.
arxiv.org/abs/2103.01048
Thanks to Tingyu, @cooperchrisd and @LorenaABarba for this wonderful collaboration.
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