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theoretical chemistry, electronic structure calculations, development of novel theories and algorithms, quantum mechanics

theoretical chemistry, physical chemistry, polymers and nanoscience

theoretical and physical chemistry, advances in basic theory, computational methods, study of molecular electronic structure, quantum Monte Carlo method, Born-Oppenheimer approximation

theoretical chemistry, Computational chemistry, machine learning, chemical physics, biophysics, biomolecules, materials, catalysis, computational science

Electronic Structure Theory, Quantum Chemistry

theoretical chemistry, chemical dynamics, quantum mechanical and semiclassical theories, dynamical chemical processes at the molecular level, photodissociation, femtosecond pump-probe spectroscopy, calculations of rate constants for chemical reactions