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The Journal of Chemical Physics|July 23, 2005
Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicitiesMyung Won Lee, Massimo Mella, Andrew M RappePhysical Review Letters|April 7, 2010
Molecular dynamics study of dielectric response in a relaxor ferroelectricIlya Grinberg, Young-Han Shin, Andrew M RappeJournal of Chemical Theory and Computation|June 29, 2023
Finite Difference Interpolation for Reduction of Grid-Related Errors in Real-Space Pseudopotential Density Functional TheoryDeena Roller, Andrew M Rappe, Leeor Kronik, et al.Physical Chemistry Chemical Physics : PCCP|July 4, 2018
Machine learning for predicting product distributions in catalytic regioselective reactionsSayan Banerjee, A Sreenithya, Raghavan B SunojThe Journal of Chemical Physics|August 20, 2024
Improving the precision of forces in real-space pseudopotential density functional theoryDeena Roller, Andrew M Rappe, Leeor Kronik, et al.The Journal of Physical Chemistry Letters|March 23, 2016
Photoferroelectric and Photopiezoelectric Properties of Organometal Halide PerovskitesShi Liu, Fan Zheng, Ilya Grinberg, et al.Nature|June 16, 2017
Slush-like polar structures in single-crystal relaxorsHiroyuki Takenaka, Ilya Grinberg, Shi Liu, et al.Nano Letters|October 17, 2014
Strong reciprocal interaction between polarization and surface stoichiometry in oxide ferroelectricsWissam A Saidi, John Mark P Martirez, Andrew M RappeNano Letters|January 28, 2016
Strain-Induced Ferroelectric Topological InsulatorShi Liu, Youngkuk Kim, Liang Z Tan, et al.The Journal of Physical Chemistry Letters|August 18, 2015
Theoretical Model of Oxidative Adsorption of Water on a Highly Reduced Reconstructed Oxide SurfaceNathan Z Koocher, John Mark P Martirez, Andrew M RappePageof 19