Practical applications of the real-space diffusion Monte Carlo (DMC) method require the removal of core electrons, where currently localization approximations of semilocal potentials are generally used in the projector.
High entropy ceramics provide enhanced flexibility for tailoring a wide range of physical properties, emerging from the diverse chemical and configurational degrees of freedom.
Neutron scattering reveals easy and complete switching between planar and axial spins upon doping with Li in antiferromagnetic MnTe. Easy control of the spin orientation is a crucial step towards increasing functionalities and developing easy
Large-scale numerical calculations reveal fluctuating spin and charge stripes intertwined with pair-density-wave
Structure-mediated adsorption and interfacial ordering is key to designing ligands for extractions with enhanced selectivity and efficiency.
Manipulation of matter at the nanoscale in functional nanostructures allows to harness nanoscale and even quantum phenomena, with applications in electronics, plasmonics, optoelectronics, and sensing.
New materials can now be routinely imaged at atomic resolution with such high throughput in aberration-corrected scanning transmission electron microscopy that automatic methods for detecting
Antisite defects were selectively incorporated in monolayer WS2 during its growth by regulating W diffusion in Au substrates, as predicted by first principles calculations.