218 citations · 754 across the 18 of their papers we have counts for
3 papers · 1 filter
Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons
Dimitrios Kilymis, Albert P. Bartók, Chris J. Pickard +2
Nuclear Magnetic Resonance (NMR) is one of the most powerful experimental techniques to characterize the structure of molecules and confined liquids. Nevertheless, the complexity o…
Charge storage in nanoporous carbons: The molecular origin of supercapacitance
Céline Merlet, Clarisse Péan, Mathieu Salanne +1
Supercapacitors are electric devices able to deliver a large power, enabling their use e.g. for the recovery of breaking energy in cars. This is achieved by using two carbon electr…
The electric double layer has a life of its own
Céline Merlet, David T. Limmer, Mathieu Salanne +4
Using molecular dynamics simulations with recently developed importance sampling methods, we show that the differential capacitance of a model ionic liquid based double-layer capac…