Researchers from Institute of Physics, Chinese Academy of Sciences, have developed an new strategy for designing highly ...

Materials with self-adaptive mechanical responses have long been sought after in material science. Using computer simulations ...

Scientists at EPFL and AstraZeneca have developed a method to map the atomic-level structure of amorphous drugs, demonstrated on a GLP-1 receptor agonist candidate for diabetes and obesity treatment.

Atomic clusters are the bridge between molecules and the bulk ... This book provides an updated overview of the field, and presents a detailed description of the structure and electronic properties of ...

This important book presents a unified formulation from first principles of the Hamiltonian and statistical mechanics of metallic and insulating crystals, amorphous solids, and liquids. Extensive ...

We focus on the experimental study of nanostructures, where the precise nature and location of every atom matters. Energy Materials & Interfaces (EMI) is a multidisciplinary research group focusing on ...

A c++ program for high-precision atomic structure calculations of one and two valence systems. Uses Hartree-Fock + correlation potential method. Can calculate ionisation cross sections with large of ...