307 citations · 470 across the 8 of their papers we have counts for
4 papers · 1 filter
The CP-PAW code package for first-principles calculations from a user's perspective
Peter E. Blöchl, Robert Schade, Lukas Allen-Rump +5
CP-PAW is a combined electronic structure and ab-initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as sol…
Closing the gap between theory and experiment for lithium manganese oxide spinels using a high-dimensional neural network potential
Marco Eckhoff, Florian Schönewald, Marcel Risch +3
Many positive electrode materials in lithium ion batteries include transition metals which are difficult to describe by electronic structure methods like density functional theory…
A Hybrid Density Functional Theory Benchmark Study on Lithium Manganese Oxides
Marco Eckhoff, Peter E. Blöchl, Jörg Behler
The lithium manganese oxide spinel LiMnO, with , is an important example for cathode materials in lithium ion batteries. However, an accurate description…
The interface between silicon and a high-k oxide
Clemens J. Foerst, Christopher R. Ashman, Karlheinz Schwarz +1
The ability to follow Moore's Law has been the basis of the tremendous success of the semiconductor industry in the past decades. To date, the greatest challenge for device scaling…