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

   Online Presentations | 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

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

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

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

   Online Presentations | 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.