Publications by authors named "Lars Urban"

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Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term.
Lars Urban, Henryk Laqua, Travis H Thompson, Christian Ochsenfeld

J Chem Theory Comput· May 2024

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Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 Theory.
Lars Urban, Henryk Laqua, Christian Ochsenfeld

J Chem Theory Comput· July 2022

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Identification of the subtype-selective Sirt5 inhibitor balsalazide through systematic SAR analysis and rationalization via theoretical investigations.
Carina Glas, Johannes C B Dietschreit, Nathalie Wössner, Lars Urban, Ehab Ghazy

Eur J Med Chem· November 2020

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Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis.
Akshaya K Das, Lars Urban, Itai Leven, Matthias Loipersberger, Abdulrahman Aldossary

J Chem Theory Comput· September 2019

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