output
19982025
most citedMaterials for hydrogen-based energy storage: Past, recent progress and future outlook

948 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2015Show all

4 papers · 1 filter

physics.chem-ph2015

Approximating electronically excited states with equation-of-motion linear coupled-cluster theory

Jason N. Byrd, Varun Rishi, Ajith Perera +1

A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order Møller-Plesset partitionin…

astro-ph.CO2015★ 21 cited

Accurate Prediction of the Ammonia Probes of a Variable Proton-to-Electron Mass Ratio

Alec Owens, Sergei N. Yurchenko, Walter Thiel +1

A comprehensive study of the mass sensitivity of the vibration-rotation-inversion transitions of NH, NH, ND, and ND is carried out varia…

cond-mat.soft2015★ 20 cited

Curvature Dependence of Hydrophobic Hydration Dynamics

R. Gregor Weiß, Matthias Heyden, Joachim Dzubiella

We investigate the curvature-dependence of water dynamics in the vicinity of hydrophobic spherical solutes using molecular dynamics simulations. For both, the lateral and perpendic…

physics.chem-ph2015★ 922 cited

Big Data meets Quantum Chemistry Approximations: The -Machine Learning Approach

Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp +1

Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a com…