AI accelerators deliver accurate models for challenging quantum chemistry calculations

The most demanding calculations in quantum chemistry can now be solved with graphics processing unit (GPU) supercomputers. A ...
C&EN

Density functional theory heads the wrong way

Density functional theory (DFT) is a widely used computational method for carrying out quantum calculations in chemistry, materials science, and biology research. Despite its enormous popularity and ...
Nature

Computational Chemistry and Density Functional Theory

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...
Nature

Combinatorial Geometry and Density Problems

Combinatorial geometry and density problems form a dynamic field at the intersection of discrete mathematics and geometric analysis. Research in this area explores the intricate arrangements of points ...