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Chimia
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December 30, 2019
Operator Quantum Machine Learning: Navigating the Chemical Space of Response Properties
Anders S Christensen, O Anatole von Lilienfeld
The Journal of Chemical Physics
|
September 3, 2015
Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization
Anders S Christensen, Marcus Elstner, Qiang Cui
Acta Ophthalmologica
|
April 12, 2013
Juvenile eye growth, when completed? An evaluation based on IOL-Master axial length data, cross-sectional and longitudinal
Hans C Fledelius, Anders S Christensen, Christian Fledelius
Peerj
|
April 2, 2014
FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models
Anders S Christensen, Thomas Hamelryck, Jan H Jensen
Chemical Reviews
|
April 14, 2016
Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
Anders S Christensen, Tomáš Kubař, Qiang Cui, et al.
The Journal of Chemical Physics
|
February 17, 2019
Operators in quantum machine learning: Response properties in chemical space
Anders S Christensen, Felix A Faber, O Anatole von Lilienfeld
Journal of Chemical Theory and Computation
|
November 26, 2015
Definitive Benchmark Study of Ring Current Effects on Amide Proton Chemical Shifts
Anders S Christensen, Stephan P A Sauer, Jan H Jensen
The Journal of Chemical Physics
|
April 8, 2019
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
Lixue Cheng, Matthew Welborn, Anders S Christensen, et al.
Plos One
|
February 22, 2014
Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method
Anders S Christensen, Casper Steinmann, Dmitri G Fedorov, et al.
Peerj
|
May 12, 2016
Towards a barrier height benchmark set for biologically relevant systems
Jimmy C Kromann, Anders S Christensen, Qiang Cui, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Chimia
|
December 30, 2019
Operator Quantum Machine Learning: Navigating the Chemical Space of Response Properties
Anders S Christensen, O Anatole von Lilienfeld
The Journal of Chemical Physics
|
September 3, 2015
Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization
Anders S Christensen, Marcus Elstner, Qiang Cui
Acta Ophthalmologica
|
April 12, 2013
Juvenile eye growth, when completed? An evaluation based on IOL-Master axial length data, cross-sectional and longitudinal
Hans C Fledelius, Anders S Christensen, Christian Fledelius
Peerj
|
April 2, 2014
FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models
Anders S Christensen, Thomas Hamelryck, Jan H Jensen
Chemical Reviews
|
April 14, 2016
Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
Anders S Christensen, Tomáš Kubař, Qiang Cui, et al.
The Journal of Chemical Physics
|
February 17, 2019
Operators in quantum machine learning: Response properties in chemical space
Anders S Christensen, Felix A Faber, O Anatole von Lilienfeld
Journal of Chemical Theory and Computation
|
November 26, 2015
Definitive Benchmark Study of Ring Current Effects on Amide Proton Chemical Shifts
Anders S Christensen, Stephan P A Sauer, Jan H Jensen
The Journal of Chemical Physics
|
April 8, 2019
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
Lixue Cheng, Matthew Welborn, Anders S Christensen, et al.
Plos One
|
February 22, 2014
Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method
Anders S Christensen, Casper Steinmann, Dmitri G Fedorov, et al.
Peerj
|
May 12, 2016
Towards a barrier height benchmark set for biologically relevant systems
Jimmy C Kromann, Anders S Christensen, Qiang Cui, et al.
Page
of 3