Delta Science

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 Electron Paramagnetic Resonances (EPR); - design nonlinear materials for optoelectronic applications. To investigate phenomena we use first-principal theoretical methods - Density Functional Theory (DFT); - perturbation theory; - ab-initio molecular dynamics; - GW approximation; - Bethe-Salpeter approach; - Kadanoff-Baym equations; - Non-equlibrium Green's functions technique. The developing first-principles methods are implementing in the software packages: - Quantum Espresso - Amsterdam Modeling Suite - Yambo - Materials Studio - Gaussian - WTB - SB The objects of study, including magnetic molecules, structures, as well as the developed software and theoretical methods, are available for review at Delta Science' GitHub page at https://github.com/DS-RF Delta Science is also developing free interactive courses for students interested to enhance their experience in computational quantum chemistry.