CCQ: Publications

Rotational g factors and Lorentz forces of molecules and solids from density-functional perturbation theory

Asier Zabalo, Cyrus E. Dreyer, Massimiliano Stengel

Robust Pipek–Mezey Orbital Localization in Periodic Solids

Marjory C. Clement, X. Wang, Edward F. Valeev

Linear free energy relationships in electrostatic catalysis

Norah M. Hoffmann, X. Wang, Timothy C. Berkelbach

Polaritonic Unitary Coupled Cluster for Quantum Computations

F. Pavosevic, J. Flick

Cavity-Modulated Proton Transfer Reactions

F. Pavosevic, Sharon Hammes-Schiffer, A. Rubio, J. Flick

Simple Exchange-Correlation Energy Functionals for Strongly Coupled Light-Matter Systems based on the Fluctuation-Dissipation Theorem

J. Flick

Ab-initio investigation of Er3+ defects in tungsten disulfide

Gabriel I. López-Morales, A. Hampel, Gustavo E. López, Vinod M. Menon, J. Flick, Carlos A. Meriles

Platform tailored co-design of gate-based quantum simulation

Kushal Seetharam, D. Sels, E. Demler

Digital quantum simulation of NMR experiments

Kushal Seetharam, Debopriyo Biswas, Crystal Noel, Andrew Risinger, Daiwei Zhu, Or Katz, Sambuddha Chattopadhyay, Marko Cetina, Christopher Monroe, E. Demler, D. Sels

Markovian baths and quantum avalanches

D. Sels