This dataset contains the spectra reported in "Which quantum statistics–classical dynamics method is best for water?" (DOI:10.1039/C9FD00077A), alongside the associated time-correlation functions. Python scripts to process the data and generate the figures are also included.This work was supported by the UK Engineering and Physical Sciences Research Council, the Cambridge Trust and St. Catharine’s College, Cambridge
Acknowledgements: The early stages of the work on sum frequency generation benefited greatly from di...
The results of an IUPAC Task Group formed in 2004 on “A Database of Water Transitions from Experimen...
142 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.Finally, and most generally, ...
There are a variety of methods for including nuclear quantum effects in dynamics simulations by comb...
This thesis develops a theory for approximate quantum time-correlation functions, Matsubara dynamics...
The dataset includes data and Python scripts for all figures in the corresponding article. The data...
This is the data supporting the paper "Fluctuation-induced quantum friction in nanoscale water flows...
Codes for producing figures and data in the paper "Dynamical Quantum Phase Transitions Following Dou...
We provide DFT input files, example ice configurations studied, a Mathematica notebook used to colla...
<p>As technologies reach atomic length and energy scales, the simulation of quantum effects acquires...
# Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbit...
Data and python scripts for 'Probing resonating valence bonds on a programmable germanium quantum si...
Trabajo presentado en la Conference on Complex Systems (CCS), celebrada en Lyon del 25 al 29 de octu...
The research presented in this thesis is divided into three topics, all of which are related to diff...
This dataset contains essential data for reproducing results in the Paper "The Collective Burst Mec...
Acknowledgements: The early stages of the work on sum frequency generation benefited greatly from di...
The results of an IUPAC Task Group formed in 2004 on “A Database of Water Transitions from Experimen...
142 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.Finally, and most generally, ...
There are a variety of methods for including nuclear quantum effects in dynamics simulations by comb...
This thesis develops a theory for approximate quantum time-correlation functions, Matsubara dynamics...
The dataset includes data and Python scripts for all figures in the corresponding article. The data...
This is the data supporting the paper "Fluctuation-induced quantum friction in nanoscale water flows...
Codes for producing figures and data in the paper "Dynamical Quantum Phase Transitions Following Dou...
We provide DFT input files, example ice configurations studied, a Mathematica notebook used to colla...
<p>As technologies reach atomic length and energy scales, the simulation of quantum effects acquires...
# Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbit...
Data and python scripts for 'Probing resonating valence bonds on a programmable germanium quantum si...
Trabajo presentado en la Conference on Complex Systems (CCS), celebrada en Lyon del 25 al 29 de octu...
The research presented in this thesis is divided into three topics, all of which are related to diff...
This dataset contains essential data for reproducing results in the Paper "The Collective Burst Mec...
Acknowledgements: The early stages of the work on sum frequency generation benefited greatly from di...
The results of an IUPAC Task Group formed in 2004 on “A Database of Water Transitions from Experimen...
142 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.Finally, and most generally, ...