Tools (1-7 of 7)

1. 2D Material Carrier Concentration Lab

   15 Nov 2022 | Contributor(s):: Jing Guo, Ning Yang

   Simulate density of states, carrier statistics, and carrier concentrations in two-dimensional semiconductors and graphene

2. ab initio simulations with ORCA

   Tools | 28 Jul 2015 | Contributor(s):: nicolas onofrio, Alejandro Strachan

   ab initio and density functional theory calculations dedicated to molecular systems

3. Berkeley XAS

   Tools | 13 Jun 2011 | Contributor(s):: Benjamin Han, Andrew Taber, Keith Gilmore, David Prendergast

   Calculate core level x-ray absorption spectra for molecules and crystals

4. Berkeley GW

   Tools | 27 Sep 2009 | Contributor(s):: Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton

   This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation

5. DFT calculations with Quantum ESPRESSO

   Tools | 07 Jul 2010 | Contributor(s):: Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley

   DFT calculations of molecules and solids

6. SIESTA

   Tools | 05 Mar 2008 | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton

   Use SIESTA to perform electronic structure calculations

7. ABINIT

   Tools | 13 May 2004 | Contributor(s):: Amritanshu Palaria, Xufeng Wang, Benjamin P Haley, Matteo Mannino, Gerhard Klimeck

   Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface