Tags: Computational Modeling

Resources (1-4 of 4)

  1. Modeling High-Efficiency Rear Junction Photovoltaic Devices

    07 Aug 2017 | Contributor(s):: Valerie C Vidal, Allison Perna, Peter Bermel

    Solar cells are a renewable energy technology that has begun to supply energy in many regions of the world at a utility scale. Nonetheless, further improvements in solar technology are still needed to help reduce costs and increase adoption. Many researchers have been particularly interested in...

  2. Forces That Govern Life: On the Way to Understanding Intermolecular Interactions

    20 Jul 2017 | | Contributor(s):: Lyudmila V. Slipchenko

    This talk will overview our recent work on the Effective Fragment Potential (EFP) method. EFP is a model potential designed for describing non-covalent interactions. The absence of fitted parameters and a natural partitioning of the interaction energy into Coulomb, polarization, dispersion, and...

  3. Introduction to Computational Modeling - Schrödinger Equation, Density Functional Theory (DFT), Kohn-Sham Method, DFT Code SIESTA

    16 Jun 2016 | | Contributor(s):: Lan Li

    This instructional video is part 1 in a two part series.  It provides anintroduction to computational modeling, including motivation for studyingthis topic.  The Schrödinger Equation is reviewed and its relationship toDensity Functional Theory (DFT) is explained.  The...

  4. Introduction to Computational Modeling - Input Parameters for SIESTA Simulation

    16 Jun 2016 | | Contributor(s):: Lan Li

    This instructional video is part 2 in a two part series.  It  explains how to set up input parameters for the SIESTA simulation tool.