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Delta Science, the U.S. nonprofit research institute in academy (Federal Tax ID: 92-1618476), provides basic research in physics and chemistry.
The developing topics are
- Electrochemistry of fuel cells for Green Energetics;
- Magnetic phenomena of single-molecule magnets for Qubits applications;
- Semiconductor engineering for electronics by manipulating defects in solid-states, creating Schottky contact, and studying Nuclear Magnetic (NMR) and Electronic Paramagnetic Resonances (EPR);
design nonlinear materials for optoelectronic applications.
To investigate phenomena we use first-principal theoretical methods
- Density Functional Theory (DFT);
- GW approximation;
- Bethe-Salpeter approach;
- perturbation theory;
- ab-initio molecular dynamics.
The developing first-principles methods are implementing in the software packages:
- Quantum Espresso https://www.quantum-espresso.org/
- Amsterdam Modeling Suite https://www.scm.com/
- Yambo https://www.yambo-code.eu/
- Materials Studio https://www.3ds.com/products/biovia/materials-studio
- Gaussian https://gaussian.com/
- WTB https://github.com/DS-RF/WTB
- SB https://github.com/DS-RF/SB-1
Delta Science is also developing interactive courses for students interested to enhance their experience in computational quantum chemistry
- Introduction to Density Functional Theory
- Introduction to Quantum Espresso
- Introduction to Yambo
- Theory of Magnetic Resonances