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Replication Data for: Fully guaranteed and computable error bounds on the ene...
Data for reproducibility of the numerical simulations of the research paper "Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with... -
Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning
The simulation files, molecule topologies, and analysis workflows required to generate the results of our paper 'ART-SM: Boosting Fragment-Based Backmapping by Machine Learning'... -
Replication data of C6 group for: "Disentanglement of surface and confinement...
The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to... -
Structure Direction from Electrons in the Presence of the 'Alkalide Option': ...
We request 5 days on SANDALS to investigate the structural effect of expanded metals in the LiNa-MeNH2 system at three different concentrations. The interplay between... -
Replication data of C6 group for: "Disentanglement of surface and confinement...
The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to... -
Replication Data for: Fully guaranteed and computable error bounds on the ene...
Data for reproducibility of the numerical simulations of the research paper "Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with... -
Simulation and reconstruction of the final momenta generated in the Coulomb e...
This entry contains data about the Coulomb explosion of 2-iodopyridine. The simulation data contain the results of the simulation of the Coulomb explosion using the XMDYN... -
Simulation and reconstruction of the final momenta generated in the Coulomb e...
This entry contains data about the Coulomb explosion of 2-iodopyridine. The simulation data contain the results of the simulation of the Coulomb explosion using the XMDYN...
