Marcus Elstner

7 ta ish

Karlsruhe Institute of Technology

1. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

   B. Hourahine, Bálint Aradi, Volker Blüm +36

   MaqolaOAOchiq kirish202015 iqtibos

   ABIABI:AkademIndex/2026.other.040029

2. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

   Marcus Elstner, D. Porezag, G. Jungnickel +5

   Maqola199813 iqtibos

   ABIABI:AkademIndex/2026.other.039988

3. Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems

   Maximilian Kubillus, Tomáš Kubař, Michael Gaus +2

   Maqola201410 iqtibos

   ABIABI:AkademIndex/2026.other.115741

4. Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications

   Michael Gaus, Xiya Lu, Marcus Elstner +1

   MaqolaOAOchiq kirish201410 iqtibos

   ABIABI:AkademIndex/2026.other.115750

5. Parametrization and Benchmark of DFTB3 for Organic Molecules

   Michael Gaus, Albrecht Goez, Marcus Elstner

   Maqola20129 iqtibos

   ABIABI:AkademIndex/2026.other.040010

6. An approximate DFT method for QM/MM simulations of biological structures and processes

   Marcus Elstner, Thomas Frauenheim, Sándor Suhai

   Maqola20033 iqtibos

   ABIABI:AkademIndex/2026.other.230281

7. The Retinal Conformation and its Environment in Rhodopsin in Light of a New 2.2 Å Crystal Structure

   Tetsuji Okada, Minoru Sugihara, Ana‐Nicoleta Bondar +3

   Maqola20042 iqtibos

   ABIABI:AkademIndex/2026.other.607832