Explores phonon frequencies, heat capacity, thermal properties, vibrations in solids, free electron gas, Fermi function, and density functional theory.
Delves into the energetic determinants of protein folding, equilibrium constants, and thermodynamic properties of proteins, emphasizing enthalpy, entropy, and heat capacity.
Covers the efficient computation of heat capacity in metal organic frameworks using quantum classical methods and explores advanced PIMD techniques beyond benchmarks.
Explores the conservation of energy in thermodynamic systems through heat and work interactions, introducing internal energy, enthalpy, and heat capacity.
