Alexander Urban

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All published works

Action	Title	Year	Authors
+ PDF Chat	Scalable Training of Neural Network Potentials for Complex Interfaces Through Data Augmentation	2024	In Won Yeu Annika Stuke Jon L. pez-Zorrilla James Stevenson David R. Reichman Richard A. Friesner Alexander Urban Nongnuch Artrith
+ PDF Chat	Discovering melting temperature prediction models of inorganic solids by combining supervised and unsupervised learning	2024	Vahe Gharakhanyan Luke J. Wirth José Antonio Garrido Torres Ethan Eisenberg Ting Wang Dallas R. Trinkle Snigdhansu Chatterjee Alexander Urban
+ PDF Chat	Atomic insights into the oxidative degradation mechanisms of sulfide solid electrolytes	2024	Chuntian Cao Matthew R. Carbone Cem Komurcuoglu Jagriti S. Shekhawat Kerry Sun Haoyue Guo Sizhan Liu Ke Chen Seong‐Min Bak Yonghua Du
+ PDF Chat	Discovering Melting Temperature Prediction Models of Inorganic Solids by Combining Supervised and Unsupervised Learning	2024	Vahe Gharakhanyan Luke J. Wirth José Antonio Garrido Torres Ethan Eisenberg Ting Wang Dallas R. Trinkle Snigdhansu Chatterjee Alexander Urban
+ PDF Chat	Layered-to-Spinel Phase Transformation in Li$_{0.5}$NiO$_2$ from First Principles	2024	Cem Komurcuoglu Alan C. West Alexander Urban
+	Understanding how off-stoichiometry promotes cation mixing in LiNiO$_2$	2024	Cem Komurcuoglu Yunhao Xiao Xin‐Hao Li Joaquín Rodríguez‐López Zheng Li Alan C. West Alexander Urban
+ PDF Chat	Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes	2023	Haoyue Guo Matthew R. Carbone Chuntian Cao Jianzhou Qu Yonghua Du Seong‐Min Bak Conan Weiland Feng Wang Shinjae Yoo Nongnuch Artrith
+	Atomic Insights into the Oxidative Degradation Mechanisms of Sulfide Solid Electrolytes	2023	Chuntian Cao Matthew R. Carbone Cem Komurcuoglu Jagriti S. Shekhawat Kerry Sun Haoyue Guo Sizhan Liu Ke Chen Seong‐Min Bak Yonghua Du
+	Constructing and Compressing Global Moment Descriptors from Local Atomic Environments	2023	Vahe Gharakhanyan Max Aalto Aminah Alsoulah Nongnuch Artrith Alexander Urban
+	Data-driven approach to parameterize <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>SCAN</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:math> for an accurate description of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:mrow></mml:math> transition metal oxide thermochemistry	2022	Nongnuch Artrith José Antonio Garrido Torres Alexander Urban Mark S. Hybertsen
+ PDF Chat	First-principles characterization of surface degradation of LiNiO2 cathodes	2021	Xin‐Hao Li Qian Wang Haoyue Guo Nongnuch Artrith Alexander Urban
+	Strategies for the construction of machine-learning potentials for accurate and efficient atomic-scale simulations	2021	April M Miksch Tobias Morawietz Johannes Kästner Alexander Urban Nongnuch Artrith
+	Point absorbers in Advanced LIGO	2021	A. F. Brooks G. Vajente Hiro Yamamoto Rich Abbott Carl Adams R. X. Adhikari A. Ananyeva Stephen Appert K. Arai J. S. Areeda
+	Data-driven Approach to Parameterize SCAN+U for an Accurate Description of 3d Transition Metal Oxide Thermochemistry	2021	Nongnuch Artrith José Antonio Garrido Torres Alexander Urban Mark S. Hybertsen
+	Open data from the first and second observing runs of Advanced LIGO and Advanced Virgo	2021	Rich Abbott T. D. Abbott Sheelu Abraham F. Acernese K. Ackley Carl Adams R. X. Adhikari V. B. Adya C. Affeldt M. Agathos
+	Characterization of systematic error in Advanced LIGO calibration in the second half of O3	2021	L. Sun E. Goetz J. S. Kissel J. Betzwieser S. Karki D. Bhattacharjee P. B. Covas L. E. H. Datrier S. Kandhasamy Y. K. Lecoeuche
+ PDF Chat	Potential and pH Dependence of the Buried Interface of Membrane-Coated Electrocatalysts	2020	Jianzhou Qu Alexander Urban
+ PDF Chat	Characterization of systematic error in Advanced LIGO calibration	2020	L. Sun E. Goetz J. S. Kissel J. Betzwieser S. Karki A. D. Viets M. Wade D. Bhattacharjee V. Bossilkov P. B. Covas
+ PDF Chat	Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide	2020	April M. Cooper Johannes Kästner Alexander Urban Nongnuch Artrith
+	Efficient Training of Accurate Neural Network Potentials by Including Atomic Forces via Taylor Expansion: Application to Water and a Transition-Metal Oxide	2020	April M. Cooper Johannes Kästner Alexander Urban Nongnuch Artrith
+	Potential and pH dependence of the buried interface of membrane-coated electrocatalysts	2020	Jianzhou Qu Alexander Urban
+	Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries	2019	Huiwen Ji Alexander Urban Daniil A. Kitchaev Deok‐Hwang Kwon Nongnuch Artrith Colin Ophus Wenxuan Huang Zijian Cai Tan Shi Jae Chul Kim
+	Atomic-scale factors that control the rate capability of nanostructured amorphous Si for high-energy-density batteries	2019	Nongnuch Artrith Alexander Urban Yan Wang Gerbrand Ceder
+ PDF Chat	Constructing first-principles phase diagrams of amorphous Li<i>x</i>Si using machine-learning-assisted sampling with an evolutionary algorithm	2018	Nongnuch Artrith Alexander Urban Gerbrand Ceder
+	An L$_0$L$_1$-norm compressive sensing paradigm for the construction of sparse predictive lattice models using mixed integer quadratic programming	2018	Wenxuan Huang Alexander Urban Penghao Xiao Ziqin Rong Hena Das Tina Chen Nongnuch Artrith Alexandra J. Toumar Gerbrand Ceder
+ PDF Chat	Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides	2017	Alexander Urban Aziz Abdellahi Stephen Dacek Nongnuch Artrith Gerbrand Ceder
+ PDF Chat	Influence of Inversion on Mg Mobility and Electrochemistry in Spinels	2017	Gopalakrishnan Sai Gautam Pieremanuele Canepa Alexander Urban Shou‐Hang Bo Gerbrand Ceder
+ PDF Chat	Influence of Inversion on Mg Mobility and Electrochemistry in Spinels	2017	Gopalakrishnan Sai Gautam Pieremanuele Canepa Alexander Urban Shou‐Hang Bo Gerbrand Ceder
+ PDF Chat	Efficient and accurate machine-learning interpolation of atomic energies in compositions with many species	2017	Nongnuch Artrith Alexander Urban Gerbrand Ceder
+ PDF Chat	Finding and proving the exact ground state of a generalized Ising model by convex optimization and MAX-SAT	2016	Wenxuan Huang Daniil A. Kitchaev Stephen Dacek Ziqin Rong Alexander Urban Shan Cao Chuan Luo Gerbrand Ceder
+ PDF Chat	Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides	2015	Dong‐Hwa Seo Alexander Urban Gerbrand Ceder
+ PDF Chat	The Intercalation Phase Diagram of Mg in V<sub>2</sub>O<sub>5</sub> from First-Principles	2015	Gopalakrishnan Sai Gautam Pieremanuele Canepa Aziz Abdellahi Alexander Urban Rahul Malik Gerbrand Ceder

Common Coauthors

Coauthor	Papers Together
Nongnuch Artrith	17
Gerbrand Ceder	11
Haoyue Guo	4
R. L. Savage	4
P. B. Covas	4
L. Sun	4
S. Kandhasamy	4
Cem Komurcuoglu	4
S. E. Dwyer	4
E. Goetz	4
J. S. Kissel	4
S. Karki	4
Stuart Aston	4
C. Cahillane	4
José Antonio Garrido Torres	4
M. Wade	4
L. E. H. Datrier	4
G. Mendell	4
Yonghua Du	3
Seong‐Min Bak	3
J. Betzwieser	3
A. J. Weinstein	3
Wenxuan Huang	3
Timesh Mistry	3
Vahe Gharakhanyan	3
Matthew R. Carbone	3
Y. K. Lecoeuche	3
D. Bhattacharjee	3
A. Buikema	3
R. Gray	3
Feng Wang	3
Conan Weiland	3
Chuntian Cao	3
Johannes Kästner	3
Shinjae Yoo	3
Ethan Payne	3
Jianzhou Qu	3
Deyu Lu	3
Gopalakrishnan Sai Gautam	3
A. D. Viets	3
R. Kumar	3
Pieremanuele Canepa	3
Dick Gustafson	2
Z. Márka	2
K. Soni	2
T. J. Massinger	2
N. A. Holland	2
K. E. Ramirez	2
D. C. Coyne	2
R. X. Adhikari	2

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	Projector augmented-wave method	1994	Peter E. Blöchl	12
+ PDF Chat	Algorithm for generating derivative structures	2008	Gus L. W. Hart Rodney W. Forcade	6
+ PDF Chat	First-principles prediction of redox potentials in transition-metal compounds with<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>	2004	Fei Zhou Matteo Cococcioni Chris A. Marianetti Dane Morgan Gerbrand Ceder	5
+	Predicting the Activity and Selectivity of Bimetallic Metal Catalysts for Ethanol Reforming using Machine Learning	2020	Nongnuch Artrith Zhexi Lin Jingguang G. Chen	5
+ PDF Chat	Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons	2010	Albert P. Bartók M. C. Payne Risi Kondor Gábor Cśanyi	4
+ PDF Chat	How van der Waals interactions determine the unique properties of water	2016	Tobias Morawietz Andreas Singraber Christoph Dellago Jörg Behler	4
+ PDF Chat	Efficient and accurate machine-learning interpolation of atomic energies in compositions with many species	2017	Nongnuch Artrith Alexander Urban Gerbrand Ceder	4
+ PDF Chat	Strongly Constrained and Appropriately Normed Semilocal Density Functional	2015	Jianwei Sun Adrienn Ruzsinszky John P. Perdew	3
+ PDF Chat	GWTC-1: A Gravitational-Wave Transient Catalog of Compact Binary Mergers Observed by LIGO and Virgo during the First and Second Observing Runs	2019	B. P. Abbott R. Abbott T. D. Abbott S. Abraham F. Acernese K. Ackley C. Adams R. X. Adhikari V. B. Adya C. Affeldt	3
+ PDF Chat	Algorithm 778: L-BFGS-B	1997	Ciyou Zhu Richard H. Byrd Peihuang Lu Jorge Nocedal	3
+ PDF Chat	LIII. <i>On lines and planes of closest fit to systems of points in space</i>	1901	Karl Pearson	3
+ PDF Chat	Constructing first-principles phase diagrams of amorphous Li<i>x</i>Si using machine-learning-assisted sampling with an evolutionary algorithm	2018	Nongnuch Artrith Alexander Urban Gerbrand Ceder	3
+ PDF Chat	GW150914: The Advanced LIGO Detectors in the Era of First Discoveries	2016	B. P. Abbott R. Abbott T. D. Abbott M. R. Abernathy F. Acernese K. Ackley C. Adams T. Adams P. Addesso R. X. Adhikari	3
+ PDF Chat	Observation of Gravitational Waves from a Binary Black Hole Merger	2016	B. P. Abbott R. Abbott T. D. Abbott M. R. Abernathy F. Acernese K. Ackley C. Adams T. Adams P. Addesso R. X. Adhikari	3
+ PDF Chat	Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials	2014	Aidan P. Thompson Laura Swiler Christian Robert Trott Stephen M. Foiles Garritt J. Tucker	3
+ PDF Chat	On representing chemical environments	2013	Albert P. Bartók Risi Kondor Gábor Cśanyi	3
+ PDF Chat	Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide	2020	April M. Cooper Johannes Kästner Alexander Urban Nongnuch Artrith	3
+	Scikit-learn: Machine Learning in Python	2012	Fabián Pedregosa Gaël Varoquaux Alexandre Gramfort Vincent Michel Bertrand Thirion Olivier Grisel Mathieu Blondel Peter Prettenhofer Ron J. Weiss Vincent Dubourg	3
+ PDF Chat	A Limited Memory Algorithm for Bound Constrained Optimization	1995	Richard H. Byrd Peihuang Lu Jorge Nocedal Ciyou Zhu	3
+ PDF Chat	<scp>G</scp>aussian approximation potentials: A brief tutorial introduction	2015	Albert P. Bartók Gábor Cśanyi	3
+ PDF Chat	Linear response approach to the calculation of the effective interaction parameters in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:mrow></mml:math>method	2005	Matteo Cococcioni Stefano de Gironcoli	3
+ PDF Chat	Compressive sensing as a paradigm for building physics models	2013	Lance J. Nelson Gus L. W. Hart Fei Zhou Vidvuds Ozoliņš	3
+ PDF Chat	Perspective on density functional theory	2012	Kieron Burke	3
+	A derivation of the Ising model for the computation of phase diagrams	1993	Gerbrand Ceder	3
+ PDF Chat	Machine-learned multi-system surrogate models for materials prediction	2019	Chandramouli Nyshadham Matthias Rupp Brayden Bekker Alexander V. Shapeev Tim Mueller Conrad W. Rosenbrock Gábor Cśanyi David Wingate Gus L. W. Hart	2
+ PDF Chat	Machine Learning Energies of 2 Million Elpasolite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mo stretchy="false">(</mml:mo><mml:mi>A</mml:mi><mml:mi>B</mml:mi><mml:msub><mml:mrow><mml:mi>C</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>D</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub><mml:mo stretchy="false">)</mml:mo></mml:mrow></mml:math>Crystals	2016	Felix A. Faber Alexander Lindmaa O. Anatole von Lilienfeld Rickard Armiento	2
+ PDF Chat	Low-latency Gravitational-wave Alerts for Multimessenger Astronomy during the Second Advanced LIGO and Virgo Observing Run	2019	B. P. Abbott R. Abbott T. D. Abbott S. Abraham F. Acernese K. Ackley C. Adams R. X. Adhikari V. B. Adya C. Affeldt	2
+ PDF Chat	Reconstructing the calibrated strain signal in the Advanced LIGO detectors	2018	A. D. Viets M. Wade A. L. Urban S. Kandhasamy J. Betzwieser D. Brown J. Burguet–Castell C. Cahillane E. Goetz Kiwamu Izumi	2
+ PDF Chat	Advanced Virgo: a second-generation interferometric gravitational wave detector	2014	F. Acernese M. Agathos K. Agatsuma D. Aisa N. Allemandou A. Allocca J Amarni P. Astone G. Balestri G. Ballardin	2
+ PDF Chat	Configurational Electronic Entropy and the Phase Diagram of Mixed-Valence Oxides: The Case of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Li</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>FePO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>	2006	Fei Zhou Thomas Maxisch Gerbrand Ceder	2
+ PDF Chat	Applications of DFT + DMFT in Materials Science	2019	Arpita Paul Turan Birol	2
+ PDF Chat	Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides	2017	Alexander Urban Aziz Abdellahi Stephen Dacek Nongnuch Artrith Gerbrand Ceder	2
+ PDF Chat	How to represent crystal structures for machine learning: Towards fast prediction of electronic properties	2014	Kristof T. Schütt Henning Glawe Felix Brockherde Antonio Sanna K. Müller E. K. U. Gross	2
+ PDF Chat	The Interplay of Structure and Dynamics in the Raman Spectrum of Liquid Water over the Full Frequency and Temperature Range	2018	Tobias Morawietz Ondřej Maršálek Shannon R. Pattenaude Louis M. Streacker Dor Ben‐Amotz Thomas E. Markland	2
+ PDF Chat	The role of decomposition reactions in assessing first-principles predictions of solid stability	2018	Christopher J. Bartel Alan W. Weimer Stephan Lany Charles B. Musgrave Aaron M. Holder	2
+ PDF Chat	Comparing molecules and solids across structural and alchemical space	2016	Sandip De Albert P. Bartók Gábor Cśanyi Michele Ceriotti	2
+ PDF Chat	ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost	2017	Justin S. Smith Olexandr Isayev Adrián E. Roitberg	2
+ PDF Chat	GW150914: First results from the search for binary black hole coalescence with Advanced LIGO	2016	B. P. Abbott R. Abbott T. D. Abbott M. R. Abernathy F. Acernese K. Ackley C. Adams T. Adams P. Addesso R. X. Adhikari	2
+	Crystal structure representations for machine learning models of formation energies	2015	Felix A. Faber Alexander Lindmaa O. Anatole von Lilienfeld Rickard Armiento	2
+ PDF Chat	Generating derivative superstructures for systems with high configurational freedom	2017	Wiley S. Morgan Gus L. W. Hart Rodney W. Forcade	2
+ PDF Chat	Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning	2012	Matthias Rupp Alexandre Tkatchenko Klaus‐Robert Müller O. Anatole von Lilienfeld	2
+ PDF Chat	Calibration of the Advanced LIGO detectors for the discovery of the binary black-hole merger GW150914	2017	B. P. Abbott R. Abbott T. D. Abbott M. R. Abernathy K. Ackley C. Adams P. Addesso R. X. Adhikari V. B. Adya C. Affeldt	2
+ PDF Chat	Canonical sampling through velocity rescaling	2007	Giovanni Bussi Davide Donadio Michele Parrinello	2
+ PDF Chat	Bethe-Salpeter equation calculations of core excitation spectra	2011	John Vinson J. J. Rehr J. J. Kas Eric L. Shirley	2
+	Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical properties	2015	O. Anatole von Lilienfeld Raghunathan Ramakrishnan Matthias Rupp Aaron Knoll	2
+ PDF Chat	Sensitivity of the Advanced LIGO detectors at the beginning of gravitational wave astronomy	2016	Д. В. Мартынов E. D. Hall B. P. Abbott R. Abbott T. D. Abbott C. Adams R. X. Adhikari R. A. Anderson S. B. Anderson K. Arai	2
+ PDF Chat	Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network	2015	S. Alireza Ghasemi Albert Hofstetter Santanu Saha Stefan Goedecker	2
+ PDF Chat	Metrics for measuring distances in configuration spaces	2013	Ali Sadeghi S. Alireza Ghasemi Bastian Schaefer Stephan Mohr Markus A. Lill Stefan Goedecker	2
+ PDF Chat	Calibration uncertainty for Advanced LIGO’s first and second observing runs	2017	C. Cahillane Joe Betzwieser D. Brown E. Goetz E. D. Hall Kiwamu Izumi S. Kandhasamy S. Karki Jeff Kissel Greg Mendell	2
+ PDF Chat	Computing total energies in complex materials using charge self-consistent DFT + DMFT	2014	Hyowon Park Andrew J. Millis Chris A. Marianetti	2