"By exciting a specific terahertz frequency vibrational mode, which displaces the crystal lattice along the coordinates of other modes in the material, we created a chiral state that survives for ...

Beginning with any representation of the molecule (e.g., SMILES), OE predicted a list of possible crystal structures and ranked them with enthalpies or free energies from quantum chemical (QC) ...

School of Materials Science and Engineering, Tianjin Key Laboratory of Metal and Molecular Materials Chemistry, Frontiers Science Center for New Organic Matter, Nankai University, Tongyan Road 38, ...

Illustration of LLZO crystal structures: Cubic phase (left ... stability in high-entropy garnet compounds, particularly under varying conditions of dopant concentrations and structural configurations.

Dilithium is an integral part of the Cryptographic Suite for Algebraic Lattices (CRYSTALS), it is lattice-based digital signature algorithm designed to withstand attacks from quantum computers, ...

It provides some simple utilities for analyzing simulation states ... there is functionality for mapping system states to CIF files (for use in crystal lattice simulations).

Material design of inorganic SEs are based on certain structural criteria: (i) mobile ions should have conduction pathways large enough in the lattice, (ii ... the precipitation of a superionic ...