Laura E Ratcliff

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 9

Top Topics

Energy Transfer

Density Functional Theory

Virtual Reality

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Advanced materials (Deerfield Beach, Fla.)

This page only lists publications with an associated author ORCID identifier.

Publications

William Dawson, Eisuke Kawashima, Laura E Ratcliff, Muneaki Kamiya, Luigi Genovese, Takahito Nakajima
Complexity reduction in density functional theory: Locality in space and energy. The Journal of chemical physics 158 (16) (2023)
Laura E Ratcliff, Takayoshi Oshima, Felix Nippert, Benjamin M Janzen, Elias Kluth, Rüdiger Goldhahn, Martin Feneberg, Piero Mazzolini, Oliver Bierwagen, Charlotte Wouters, Musbah Nofal, Martin Albrecht, Jack E N Swallow, Leanne A H Jones, Pardeep Kumar Thakur, Tien-Lin Lee, Curran Kalha, Christoph Schlueter, Tim D Veal, Joel B Varley, Markus R Wagner, Anna Regoutz
Tackling Disorder in γ-Ga 2 O 3 . Advanced materials (Deerfield Beach, Fla.) 34 (37) (2022)
Nathalie K Fernando, Martina Stella, William Dawson, Takahito Nakajima, Luigi Genovese, Anna Regoutz, Laura E Ratcliff
Probing disorder in 2CzPN using core and valence states. Physical chemistry chemical physics : PCCP 24 (38) (2022)
Martina Stella, Kritam Thapa, Luigi Genovese, Laura E Ratcliff
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems. Journal of chemical theory and computation 18 (5) (2022)
Nathalie K Fernando, Andrew B Cairns, Claire A Murray, Amber L Thompson, Joshua L Dickerson, Elspeth F Garman, Nayera Ahmed, Laura E Ratcliff, Anna Regoutz
Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]2 Catalysts. The journal of physical chemistry. A 125 (34) (2021)
Laura E Ratcliff, Luigi Genovese, Hyowon Park, Peter B Littlewood, Alejandro Lopez-Bezanilla
Exploring Metastable States in UO2using Hybrid Functionals and Dynamical Mean Field Theory. Journal of physics. Condensed matter : an Institute of Physics journal (2021)
Jo M Pi, Martina Stella, Nathalie K Fernando, Aaron Y Lam, Anna Regoutz, Laura E Ratcliff
Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory. The journal of physical chemistry letters 11 (6) (2020)
William Dawson, Stephan Mohr, Laura E Ratcliff, Takahito Nakajima, Luigi Genovese
Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding. Journal of chemical theory and computation 16 (5) (2020)
Laura E Ratcliff, W Scott Thornton, Álvaro Vázquez Mayagoitia, Nichols A Romero
Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach. The journal of physical chemistry. A 123 (20) (2019)