The object-oriented paradigm popularized by languages including Java and C++ has slowly given way to a functional programming approach that is advocated by popular Python libraries and JavaScript ...

Orbital-free density functional theory (OFDFT) represents a promising reformulation of quantum mechanics for materials and molecular simulations. By expressing the kinetic energy solely as a ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...

JavaScript’s arrays can hold heterogeneous types, change size on the fly, and readily insert or remove elements. Traditional methods like slice, splice, and push/pop do this by operating on the array ...