Stephan Irle

1. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
   2020/03/23 by B. Hourahine, Bálint Aradi, Volker Blüm +36 · 22 citations
   Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #nanoparticles nucleation surface interactions
2. Recent developments in the general atomic and molecular electronic structure system
   2020/04/16 by Giuseppe M. J. Barca, Colleen Bertoni, Laura Carrington +39 · 11 citations
   Chemical Engineering · Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Chemical Thermodynamics and Molecular Structure
3. Gene Expression Programming for Quantum Computing
   2023/03/14 by Gonzalo Álvarez, Ryan S. Bennink, Alvarez, Gonzalo +5 · 2 citations
   Computer Science · Engineering · #Advancements in Semiconductor Devices and Circuit Design #FOS: Physical sciences #Neural Networks and Reservoir Computing #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el)
4. Effect of surface functional groups on MXene conductivity
   2023/05/15 by Rabi Khanal, Stephan Irle · 7 citations
   Materials Science · Engineering · #MXene and MAX Phase Materials #2D Materials and Applications #Advanced Memory and Neural Computing