When light hits solar cells, so-called electron-hole pairs are created: the electrons are excited and can move almost freely ...

Chemistry and physics are combining forces at Columbia, and it's leaving everyone frustrated—in a good way. New work, ...

From the approximate solutions of the many-electron Schrödinger equation, we can construct the potential-energy surfaces (PESs) – a fundamental concept used in chemistry. A PES is a multi-dimensional ...

Electron transport measurements showed good agreement with Magboltz simulations, validating our methodology. Through Monte Carlo modeling of electron loss mechanisms, we quantified how attachment ...

Geometry of Complex Molecular Motions of Guest Molecules in Polymers from Solid State 2H NMR Alexandra R. Albunia †* , Robert Graf ‡ , Alfonso Grassi † , Gaetano Guerra † , and Hans W. Spiess ‡* ...

The performances of several two-step scoring approaches for molecular docking were assessed for their ability to predict binding geometries and free energies. Two new scoring functions designed for ...