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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 6, 2019
Pseudo-fragment approach for extended systems derived from linear-scaling DFT
Laura E Ratcliff, Luigi Genovese
Physical Chemistry Chemical Physics : PCCP
|
July 3, 2013
Ab initio calculations of the optical absorption spectra of C60-conjugated polymer hybrids
Laura E Ratcliff, Peter D Haynes
The Journal of Chemical Physics
|
June 22, 2015
Fragment approach to constrained density functional theory calculations using Daubechies wavelets
Laura E Ratcliff, Luigi Genovese, Stephan Mohr, et al.
Journal of Chemical Theory and Computation
|
July 22, 2017
Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis
Stephan Mohr, Michel Masella, Laura E Ratcliff, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2021
Multi-phonon proton transfer pathway in a molecular organic ferroelectric crystal
Matthew T O Okenyi, Laura E Ratcliff, Aron Walsh
Journal of Chemical Theory and Computation
|
April 26, 2022
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems
Martina Stella, Kritam Thapa, Luigi Genovese, et al.
Journal of Chemical Theory and Computation
|
March 29, 2020
Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding
William Dawson, Stephan Mohr, Laura E Ratcliff, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2025
Combining the maximum overlap method with multiwavelets for core-ionisation energy calculations
Niklas Göllmann, Matthew R Ludwig, Peter Wind, et al.
The Journal of Physical Chemistry. A
|
May 8, 2019
Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach
Laura E Ratcliff, W Scott Thornton, Álvaro Vázquez Mayagoitia, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 24, 2021
Exploring metastable states in UO<sub>2</sub>using hybrid functionals and dynamical mean field theory
Laura E Ratcliff, Luigi Genovese, Hyowon Park, et al.
Page
of 3
Search research articles
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Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 6, 2019
Pseudo-fragment approach for extended systems derived from linear-scaling DFT
Laura E Ratcliff, Luigi Genovese
Physical Chemistry Chemical Physics : PCCP
|
July 3, 2013
Ab initio calculations of the optical absorption spectra of C60-conjugated polymer hybrids
Laura E Ratcliff, Peter D Haynes
The Journal of Chemical Physics
|
June 22, 2015
Fragment approach to constrained density functional theory calculations using Daubechies wavelets
Laura E Ratcliff, Luigi Genovese, Stephan Mohr, et al.
Journal of Chemical Theory and Computation
|
July 22, 2017
Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis
Stephan Mohr, Michel Masella, Laura E Ratcliff, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2021
Multi-phonon proton transfer pathway in a molecular organic ferroelectric crystal
Matthew T O Okenyi, Laura E Ratcliff, Aron Walsh
Journal of Chemical Theory and Computation
|
April 26, 2022
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems
Martina Stella, Kritam Thapa, Luigi Genovese, et al.
Journal of Chemical Theory and Computation
|
March 29, 2020
Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding
William Dawson, Stephan Mohr, Laura E Ratcliff, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2025
Combining the maximum overlap method with multiwavelets for core-ionisation energy calculations
Niklas Göllmann, Matthew R Ludwig, Peter Wind, et al.
The Journal of Physical Chemistry. A
|
May 8, 2019
Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach
Laura E Ratcliff, W Scott Thornton, Álvaro Vázquez Mayagoitia, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 24, 2021
Exploring metastable states in UO<sub>2</sub>using hybrid functionals and dynamical mean field theory
Laura E Ratcliff, Luigi Genovese, Hyowon Park, et al.
Page
of 3