Zobrazeno 1 - 10
of 3 269
pro vyhledávání: '"Cooper, P. D."'
Physics-informed neural networks (PINN) is a machine learning (ML)-based method to solve partial differential equations that has gained great popularity due to the fast development of ML libraries in the last few years. The Poisson-Boltzmann equation
Externí odkaz:
http://arxiv.org/abs/2410.12810
The standard Poisson-Boltzmann model for molecular electrostatics assumes a sharp variation of the permittivity and salt concentration along the solute-solvent interface. The discontinuous field parameters are not only difficult numerically, but also
Externí odkaz:
http://arxiv.org/abs/2408.14500
Ultrafast optical frequency combs allow for both high spectral and temporal resolution in molecular spectroscopy and have become a powerful tool in many areas of chemistry and physics. Ultrafast lasers and frequency combs generated from ultrafast mod
Externí odkaz:
http://arxiv.org/abs/2405.04424
Autor:
Clarke, Jennifer L., Cooper, Laurel D., Poelchau, Monica F., Berardini, Tanya Z., Elser, Justin, Farmer, Andrew D., Ficklin, Stephen, Kumari, Sunita, Laporte, Marie-Angélique, Nelson, Rex T., Sadohara, Rie, Selby, Peter, Thessen, Anne E., Whitehead, Brandon, Sen, Taner Z.
Over the last several decades, there has been rapid growth in the number and scope of agricultural genetics, genomics and breeding (GGB) databases and resources. The AgBioData Consortium (https://www.agbiodata.org/) currently represents 44 databases
Externí odkaz:
http://arxiv.org/abs/2307.08958
Publikováno v:
Journal of Computational Chemistry, 2023
The Poisson--Boltzmann equation is widely used to model electrostatics in molecular systems. Available software packages solve it using finite difference, finite element, and boundary element methods, where the latter is attractive due to the accurat
Externí odkaz:
http://arxiv.org/abs/2305.11886
An accurate force calculation with the Poisson-Boltzmann equation is challenging, as it requires the electric field on the molecular surface. Here, we present a calculation of the electric field on the solute-solvent interface that is exact for piece
Externí odkaz:
http://arxiv.org/abs/2301.05019
Here we investigate the use of passive intracavity optical filters for controlling the laser output spectrum of a polarization-mode-locked, ultrafast Ytterbium fiber laser. With strategic placement of the filter cutoff frequency, the overall lasing b
Externí odkaz:
http://arxiv.org/abs/2210.00083
Under the most common experimental conditions, the adsorption of proteins to solid surfaces is an spontaneous process that leads to a rather compact layer of randomly oriented molecules. Due to the importance of this process for the development of ca
Externí odkaz:
http://arxiv.org/abs/2112.05275
The Poisson-Boltzmann equation offers an efficient way to study electrostatics in molecular settings. Its numerical solution with the boundary element method is widely used, as the complicated molecular surface is accurately represented by the mesh,
Externí odkaz:
http://arxiv.org/abs/2108.10481