Details
Title
Bircher, Martin Peter
Sciper ID
243386
Publications
Exploiting Coordinate Scaling Relations To Accelerate Exact Exchange Calculations
Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC
From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves
Improving Performance and Accuracy of Hybrid-Functional Based Molecular Dynamics in Plane Waves
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry
Nonadiabatic effects in electronic and nuclear dynamics
Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Ene[...]
Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians
Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC
From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves
Improving Performance and Accuracy of Hybrid-Functional Based Molecular Dynamics in Plane Waves
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry
Nonadiabatic effects in electronic and nuclear dynamics
Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Ene[...]
Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians
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