The spin degree of freedom of an electron or a nucleus is one of the most basic properties of
nature and functions as an excellent qubit, as it provides a natural two-level system that is …

Solid-state chemists have been consistently successful in envisioning and making new
compounds, often enlisting the tools of theoretical solid-state physics to explain some of the …

Spin–orbit coupling can induce spin polarization in nonmagnetic 3D crystals when the
inversion symmetry is broken, as manifested by the bulk Rashba and Dresselhaus effects …

The electrical characterisation of classical and quantum devices is a critical step in the
development cycle of heterogeneous material stacks for semiconductor spin qubits. In the …

Large-scale arrays of quantum-dot spin qubits in Si/SiGe quantum wells require large or
tunable energy splittings of the valley states associated with degenerate conduction band …

Silicon/silicon-germanium heterostructures have many important advantages for hosting
spin qubits. However, controlling the valley splitting (the energy splitting between the two …

We present the implementation of GAtor, a massively parallel, first-principles genetic
algorithm (GA) for molecular crystal structure prediction. GAtor is written in Python and …

Materials informatics has emerged as a promisingly new paradigm for accelerating materials
discovery and design. It exploits the intelligent power of machine learning methods in …

Silicon-quantum-dot qubits must contend with low-lying valley excited states that are
sensitive functions of the quantum-well heterostructure and disorder; quantifying and …

Silicon quantum dots are a leading approach for solid-state quantum bits. However,
developing this technology is complicated by the multi-valley nature of silicon. Here we …