Computational Material Science
Our expertise in Computational Material Science enables us to push the boundaries of material discovery, simulation, and optimization, with a particular emphasis on applications for quantum computing and emerging nanomaterials. By leveraging advanced computational techniques, we explore novel materials and physical phenomena that are essential for the next generation of quantum technologies.
Advancing quantum materials through advanced simulations
Quantum computing requires materials with precise electronic, magnetic, and optical properties. Our team applies Density Functional Theory (DFT), many-body physics simulations, and connector theory to predict and tailor these properties at an atomic level. By optimizing materials for quantum coherence, superconductivity, and ultra-low defect rates, we contribute to the foundation of scalable and robust quantum systems.
Research in quantum dots and graphene-based systems
Our work extends beyond quantum computing materials to quantum dots, graphene, and artificial nanostructures, where we investigate how finite-size effects, electron interactions, and external fields shape electronic behavior. Some of our latest contributions in this field include:
Finite-size effects and interactions in artificial graphene
Artificial graphene, created by arranging molecules in a triangular lattice on a metal surface, has emerged as a tunable platform for studying Dirac physics. In our real-space numerical studies, we explore how electronic properties evolve in finite graphene flakes compared to fully periodic systems.
Key findings
- The gradual formation of Dirac points in the density of states as system size increases.
- The limited role of electron–electron interactions in specific parameter regimes.
- The necessity of large scattering amplitudes to produce a distinctive Dirac spectrum.
Our results exhibit good qualitative agreement with experimental density-of-states measurements, reinforcing the validity of computational approaches for understanding molecular graphene.
Dirac physics in artificial graphene flakes under magnetic fields
When exposed to external magnetic fields, artificial graphene reveals exotic quantum behaviors, such as the formation of self-similar Hofstadter butterflies, a hallmark of fractal electronic structures in periodic potentials.
Key insights
- The emergence of Dirac cones as system size increases.
- The evolution of the Hofstadter spectrum, mirroring experimental observations.
- The role of finite-size effects in modulating electronic and topological properties.
By understanding how finite quantum systems behave under external perturbations, we contribute to the broader goal of designing tunable quantum devices using graphene and similar nanomaterials.
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A strong foundation in scientific excellence
Our researchers have a strong track record in theoretical and computational physics, as reflected in our latest peer-reviewed publications. Recent contributions from our team include:
These studies represent our ongoing commitment to bridging fundamental research with real-world applications, driving innovation in computational physics, materials engineering, and beyond.
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