Delta Science

Delta Science, the U.S. qualified 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. For donation