Andrew M. Rappe

发表

New Prospects for High Performance SONAR, Chemical Sensor, and Communication Device Materials

Sergey V. Levchenko, Tingting Qi, Joseph W. Bennett, 2009, 2009 DoD High Performance Computing Modernization Program Users Group Conference.

The nature of dynamic disorder in lead halide perovskite crystals (Conference Presentation)

Fan Zheng, Louis E. Brus, Tony F. Heinz, 2016, NanoScience + Engineering.

Final report: ES11: The 23rd Annual Workshop on Electronic Structure Methods

Andrew M. Rappe, 2011 .

Quantum-mechanical investigation of bonding and vibrational properties of CO-adsorbed copper

Steven P. Lewis, Andrew M. Rappe, 1995, Optics & Photonics.

Catalytic behavior at the nanoscale: CO adsorption on Al2O3-supported Pt clusters

Alexie M. Kolpak, Andrew M. Rappe, Valentino R. Cooper, 2003, SPIE Optics + Photonics.

Big data approach for effective ionic radii

Andrew M. Rappe, Julian Gebhardt, A. Rappe, 2019, Comput. Phys. Commun..

Internally consistent predictions of surface structural relaxations

Steven P. Lewis, Andrew M. Rappe, Eric J. Walter, 1998, Photonics West.

Studies of Perovskite Materials for High-Performance Storage Media, Piezoelectric, and Solar Energy Conversion Devices

Keith A. Nelson, Tingting Qi, Joseph W. Bennett, 2010, 2010 DoD High Performance Computing Modernization Program Users Group Conference.

Computing accurate forces in quantum Monte Carlo using Pulay’s corrections and energy minimization

Mosé Casalegno, Andrew M. Rappe, A. Rappe, 2003 .

Controlling oxide surface dipole and reactivity with intrinsic nonstoichiometric epitaxial reconstructions

Seungchul Kim, Chan-Woo Lee, Andrew M. Rappe, 2015 .

Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral CaMn 7 O 12

Diomedes Saldana-Greco, Andrew M. Rappe, Jin Soo Lim, 2016, 1601.03020.

Designing Ferroelectric Field-Effect Transistors Based on the Polarization-Rotation Effect for Low Operating Voltage and Fast Switching

Andrew M. Rappe, Yubo Qi, A. Rappe, 2015 .

Relationship between local structure and phase transitions of a disordered solid solution

Ilya Grinberg, Andrew M. Rappe, Valentino R. Cooper, 2002, Nature.

Band Gap Engineering via Local Environment in Complex Oxides

Ilya Grinberg, Andrew M. Rappe, A. Rappe, 2011 .

Application of a new virtual crystal approach for the study of disordered perovskites

Andrew M. Rappe, A. Rappe, Nicholas J. Ramer, 2000 .

Intrinsic ferroelectric switching from first principles

Ilya Grinberg, Andrew M. Rappe, Shi Liu, 2016, Nature.

Climbing the Volcano of Electrocatalytic Activity while Avoiding Catalyst Corrosion: Ni3P, a Hydrogen Evolution Electrocatalyst Stable in Both Acid and Alkali

Jing Li, G. Charles Dismukes, Martha Greenblatt, 2018 .

Coadsorption of methyl radicals and oxygen on Rh(1 1 1)

Andrew M. Rappe, Eric J. Walter, A. Rappe, 2004 .

Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations

Matthew R. Suchomel, Ilya Grinberg, Andrew M. Rappe, 2005 .

First-principles materials design of high-performing bulk photovoltaics with the LiNbO$_3$ structure

Fan Zheng, Steve M. Young, Andrew M. Rappe, 2014, 1508.05874.

Nature of the photonic band gap: some insights from a field analysis

John D. Joannopoulos, Robert D. Meade, K. D. Brommer, 1993 .

Silver solid solution piezoelectrics

Ilya Grinberg, Andrew M. Rappe, A. Rappe, 2004 .

Improved pseudopotential transferability for magnetic and electronic properties of binary manganese oxides from DFT +U +J calculations

Diomedes Saldana-Greco, Andrew M. Rappe, Jin Soo Lim, 2016 .

First-principles calculation of bulk photovoltaic effect in CH$_3$NH$_3$PbI$_3$ and CH$_3$NH$_3$PbI$_{3-x}$Cl$_{x}$

Fan Zheng, Andrew M. Rappe, Hiroyuki Takenaka, 2014, 1410.3389.

Active Role of Phosphorus in the Hydrogen Evolving Activity of Nickel Phosphide (0001) Surfaces

Andrew M. Rappe, Robert B. Wexler, A. Rappe, 2017 .

STRUCTURAL AND VIBRATIONAL PROPERTIES OF CARBON MONOXIDE ADLAYERS ON THE COPPER (001) SURFACE

Steven P. Lewis, Andrew M. Rappe, A. Rappe, 1999 .

Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials

Liyan Wu, Guannan Chen, Ilya Grinberg, 2013, Nature.

Structure and energetics of alkanethiol adsorption on the Au(111) surface

Andrew M. Rappe, Yashar Yourdshahyan, A. Rappe, 2002 .

The 2019 materials by design roadmap

Aron Walsh, Alán Aspuru-Guzik, Lubos Mitas, 2018, Journal of physics D: Applied physics.

3-dimensional photonic band structure

Eli Yablonovitch, John D. Joannopoulos, Robert D. Meade, 1992 .

First principles calculations, crystal chemistry and properties of ferroelectric perovskites

Ilya Grinberg, Andrew M. Rappe, A. Rappe, 2007 .

Lattice normal modes and electronic properties of the correlated metal LaNiO$_3$

James M. Rondinelli, Ilya Grinberg, Andrew M. Rappe, 2011, 1105.0198.

Measurement of the photon dispersion relation in two-dimensional ordered dielectric arrays

John D. Joannopoulos, Robert D. Meade, G. Arjavalingam, 1993 .

Ferroelectricity in ultrathin perovskite films

Alexie M. Kolpak, Na Sai, Andrew M. Rappe, 2005 .

Thin-film ferroelectric materials and their applications

Andrew M. Rappe, Lane W. Martin, A. Rappe, 2017 .

Slush-like polar structures in single-crystal relaxors

Ilya Grinberg, Andrew M. Rappe, Hiroyuki Takenaka, 2017, Nature.

New Highly Polar Semiconductor Ferroelectrics Through d8 Cation-O Vacancy Substitution into PbTiO3: A Theoretical Study.

Ilya Grinberg, Andrew M. Rappe, Joseph W. Bennett, 2009 .

Rashba Spin-Orbit Coupling Enhanced Carrier Lifetime in Organometal Halide Perovskites

Fan Zheng, Andrew M. Rappe, Liang Z. Tan, 2015 .

Polarization Dependence of Water Adsorption to CH$_3$NH$_3$PbI$_3$ (001) Surfaces

Diomedes Saldana-Greco, Andrew M. Rappe, Fenggong Wang, 2015 .

Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo

Andrew M. Rappe, Robert B. Wexler, A. Rappe, 2019, The Journal of Physical Chemistry C.

Erratum: Power conversion efficiency exceeding the Shockley–Queisser limit in a ferroelectric insulator

Alessia Polemi, Steve M. Young, Andrew M. Rappe, 2016, Nature Photonics.

Existence of a photonic band gap in two dimensions

John D. Joannopoulos, Robert D. Meade, K. D. Brommer, 1992 .