Thomas H. Rod

Biochemistry, Genetics and Molecular Biology · Life Sciences

15h-index2.1kcitations32works1.02yr avg
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Research Topics

Protein Structure and Dynamics(7), Nuclear Physics and Applications(6), Advanced Chemical Physics Studies(4), Hydrogen Storage and Materials(4), Scientific Computing and Data Management(4)

Publications32 total

Dynasor 2: From simulation to experiment through correlation functions
Computer Physics Communications·2025· 3 citedOpen Access
Probabilistic Analysis of Event-Mode Experimental Data
arXiv (Cornell University)·2025Open Access
The First European Spallation Source Data Management and Software Centre Summer School
Neutron News·2024Open Access
LEAPS data strategy
The European Physical Journal Plus·2023· 8 citedOpen Access
Quasi Elastic Neutron Scattering model library
EPJ Web of Conferences·2023Open Access
Closing report including report from summer school
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Guidelines for collaborative development of sustainable data treatment software
Journal of Neutron Research·2022· 8 citedOpen Access
Dynamical Accuracy of Water Models on Supercooling
The Journal of Physical Chemistry Letters·2020· 7 cited
Bragg-edge attenuation spectra at voxel level from 4D wavelength-resolved neutron tomography
Journal of Applied Crystallography·2020· 19 cited
Enabling Open Science for Photon and Neutron Sources
HAL (Le Centre pour la Communication Scientifique Directe)·2020Open Access
Data Exploration and Analysis with Jupyter Notebooks
HAL (Le Centre pour la Communication Scientifique Directe)·2020· 15 citedOpen Access
EU SINE2020 WP 10 : report on guidelines and standards for data treatment software
Technical report. RAL - Council for the Central Laboratory of the Research Councils·2019
Molecular (and lattice) dynamics to analyze neutron scattering experiments – MDANSE2018
Neutron News·2018
Hardware Aspects, Modularity and Integration of an Event Mode Data Acquisition and Instrument Control for the European Spallation Source (ESS)
arXiv (Cornell University)·2015· 6 citedOpen Access
ESS Conceptual Design Report
University of Huddersfield Repository (University of Huddersfield)·2012· 30 cited
Dynamics of Water Molecules in the Active-Site Cavity of Human Cytochromes P450
The Journal of Physical Chemistry B·2007· 44 citedOpen Access
Prediction of Activation Energies for Hydrogen Abstraction by Cytochrome P450
Journal of Medicinal Chemistry·2006· 129 citedOpen Access
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase
The Journal of Chemical Physics·2006· 22 citedOpen Access
Accurate QM/MM Free Energy Calculations of Enzyme Reactions:  Methylation by Catechol <i>O</i>-Methyltransferase
Journal of Chemical Theory and Computation·2005· 136 cited
Quantum Mechanical Free Energy Barrier for an Enzymatic Reaction
Physical Review Letters·2005· 159 citedOpen Access
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Frequent Co-authors

Ulf Ryde(6), Jens K. Nørskov(5), Peter Kjær Willendrup(4), Patrik Rydberg(3), Anders Kaestner(3), Andrew Götz(3), Svend Erik Nielsen(3), Anders J. Markvardsen(3), Á. Logadóttir(2), Bjørk Hammer(2), Charles L. Brooks(2), Lars Olsen(2), R. Hall-Wilton(2), Miha Reščič(2), G. Trahern(2), Hans Fangohr(2), Carsten Fortmann-Grote(2), Jérôme Kieffer(2), Thomas Kluyver(2), Joachim Wuttke(2)