Arun Mannodi‐Kanakkithodi

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All published works
Action Title Year Authors
+ PDF Chat Accelerating defect predictions in semiconductors using graph neural networks 2024 Md. Habibur Rahman
Prince Gollapalli
Panayotis Manganaris
Satyesh Kumar Yadav
Ghanshyam Pilania
Brian DeCost
Kamal Choudhary
Arun Mannodi‐Kanakkithodi
+ Discovering novel halide perovskite alloys using multi-fidelity machine learning and genetic algorithm 2024 Jiaqi Yang
Panayotis Manganaris
Arun Mannodi‐Kanakkithodi
+ A High-Throughput Computational Dataset of Halide Perovskite Alloys 2023 Jiaqi Yang
Panayotis Manganaris
Arun Mannodi‐Kanakkithodi
+ Large Scale Benchmark of Materials Design Methods 2023 Kamal Choudhary
Daniel Wines
Kangming Li
Kevin F. Garrity
Vishu Gupta
A. Romero
Jaron T. Krogel
Kayahan Saritas
Addis Fuhr
Panchapakesan Ganesh
+ PDF Chat A high-throughput computational dataset of halide perovskite alloys 2023 Jiaqi Yang
Panayotis Manganaris
Arun Mannodi‐Kanakkithodi
+ Accelerating Defect Predictions in Semiconductors Using Graph Neural Networks 2023 Md Habibur Rahman
Prince Gollapalli
Panayotis Manganaris
Satyesh Kumar Yadav
Ghanshyam Pilania
Brian DeCost
Kamal Choudhary
Arun Mannodi‐Kanakkithodi
+ First Principles Investigation of Polymorphism in Halide Perovskites 2023 Jiaqi Yang
Arun Mannodi‐Kanakkithodi
+ Discovering Novel Halide Perovskite Alloys using Multi-Fidelity Machine Learning and Genetic Algorithm 2023 Jiaqi Yang
Panayotis Manganaris
Arun Mannodi‐Kanakkithodi
+ Square Moiré Superlattices in Twisted Two-Dimensional Halide Perovskites 2023 Shuchen Zhang
Linrui Jin
Yuan Lü
Linghai Zhang
Jiaqi Yang
Qiuchen Zhao
Dewei Sun
Joshua J. P. Thompson
Biao Yuan
Ke Ma
+ Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets 2022 Maciej P. Polak
Ryan Jacobs
Arun Mannodi‐Kanakkithodi
Maria K. Y. Chan
Dane Morgan
+ Data-driven design of novel halide perovskite alloys 2022 Arun Mannodi‐Kanakkithodi
Maria K. Y. Chan
+ Data-Driven Design of Novel Halide Perovskite Alloys 2021 Arun Mannodi‐Kanakkithodi
Maria K. Y. Chan
+ Data-Driven Design of Novel Halide Perovskite Alloys 2021 Arun Mannodi‐Kanakkithodi
Maria K. Y. Chan
+ PDF Chat Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides 2020 Arun Mannodi‐Kanakkithodi
Michael Y. Toriyama
Fatih G. Sen
Michael J. Davis
Robert F. Klie
Maria K. Y. Chan
+ Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides 2019 Arun Mannodi‐Kanakkithodi
Michael Y. Toriyama
Fatih G. Sen
Michael J. Davis
Robert F. Klie
Maria K. Y. Chan
+ PDF Chat Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices 2019 Peijun Guo
Arun Mannodi‐Kanakkithodi
Jue Gong
Yi Xia
Constantinos C. Stoumpos
Duyen H. Cao
Benjamin T. Diroll
J. B. Ketterson
Gary P. Wiederrecht
Tao Xu
+ Defect Physics of Pseudo-cubic Mixed Halide Lead Perovskites from First Principles 2019 Arun Mannodi‐Kanakkithodi
Ji‐Sang Park
Alex B. F. Martinson
Maria K. Y. Chan
+ Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides 2019 Arun Mannodi‐Kanakkithodi
Michael Y. Toriyama
Fatih G. Sen
Michael J. Davis
Robert F. Klie
Maria K. Y. Chan
+ Machine Learning and Materials Informatics: Recent Applications and Prospects 2017 Rampi Ramprasad
Rohit Batra
Ghanshyam Pilania
Arun Mannodi‐Kanakkithodi
Chiho Kim
+ PDF Chat Accelerated materials property predictions and design using motif-based fingerprints 2015 Tran Doan Huan
Arun Mannodi‐Kanakkithodi
Rampi Ramprasad
Common Coauthors
Commonly Cited References
Action Title Year Authors # of times referenced
+ PDF Chat Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties 2018 Tian Xie
Jeffrey C. Grossman
5
+ PDF Chat Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals 2019 Chi Chen
Weike Ye
Yunxing Zuo
Zheng Chen
Shyue Ping Ong
4
+ PDF Chat Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides 2020 Arun Mannodi‐Kanakkithodi
Michael Y. Toriyama
Fatih G. Sen
Michael J. Davis
Robert F. Klie
Maria K. Y. Chan
4
+ PDF Chat A critical examination of compound stability predictions from machine-learned formation energies 2020 Christopher J. Bartel
Amalie Trewartha
Qi Wang
Alexander Dunn
Anubhav Jain
Gerbrand Ceder
3
+ Data-driven design of novel halide perovskite alloys 2022 Arun Mannodi‐Kanakkithodi
Maria K. Y. Chan
3
+ PDF Chat Atomistic Line Graph Neural Network for improved materials property predictions 2021 Kamal Choudhary
Brian DeCost
3
+ PDF Chat A universal graph deep learning interatomic potential for the periodic table 2022 Chi Chen
Shyue Ping Ong
2
+ PDF Chat On representing chemical environments 2013 Albert P. Bartók
Risi Kondor
Gábor Cśanyi
2
+ PDF Chat Band structure diagram paths based on crystallography 2016 Yoyo Hinuma
Giovanni Pizzi
Yu Kumagai
Fumiyasu Oba
Isao Tanaka
2
+ PDF Chat Unified graph neural network force-field for the periodic table: solid state applications 2023 Kamal Choudhary
Brian DeCost
Lily Major
Keith T. Butler
Jeyan Thiyagalingam
Francesca Tavazza
2
+ 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
2
+ PDF Chat Projector augmented-wave method 1994 Peter E. Blöchl
2
+ PDF Chat Van der Waals density functionals applied to solids 2011 Jiří Klimeš
David R. Bowler
Angelos Michaelides
2
+ PDF Chat Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods 2019 Kamal Choudhary
Marnik Bercx
Jie Jiang
Ruth Pachter
D. Lamoen
Francesca Tavazza
2
+ Introduction to the LASSO 2018 Niharika Gauraha
2
+ PDF Chat Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem 2008 Audrius Alkauskas
Peter Broqvist
Alfredo Pasquarello
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 Assessing the performance of recent density functionals for bulk solids 2009 Gábor I. Csonka
John P. Perdew
Adrienn Ruzsinszky
Pier Philipsen
Sébastien Lebègue∥
Joachim Paier
Oleg A. Vydrov
János G. Ángyán
2
+ PDF Chat Understanding kernel ridge regression: Common behaviors from simple functions to density functionals 2015 Kevin Vu
John Snyder
Li Li
Matthias Rupp
Brandon F. Chen
Tarek Khelif
Klaus‐Robert Müller
Kieron Burke
2
+ PDF Chat Orbital-free bond breaking via machine learning 2013 John Snyder
Matthias Rupp
Katja Hansen
Leo Blooston
Klaus‐Robert Müller
Kieron Burke
1
+ PDF Chat AFLOW: An automatic framework for high-throughput materials discovery 2012 Stefano Curtarolo
Wahyu Setyawan
Gus L. W. Hart
Michal Jahnátek
Roman V. Chepulskii
Richard H. Taylor
Shidong Wang
Junkai Xue
Kesong Yang
Ohad Levy
1
+ PDF Chat <scp>G</scp>aussian approximation potentials: A brief tutorial introduction 2015 Albert P. Bartók
Gábor Cśanyi
1
+ Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells 2014 Jarvist M. Frost
Keith T. Butler
Federico Brivio
Christopher H. Hendon
Mark van Schilfgaarde
Aron Walsh
1
+ PDF Chat Finding Density Functionals with Machine Learning 2012 John Snyder
Matthias Rupp
Katja Hansen
Klaus‐Robert Müller
Kieron Burke
1
+ Overcoming data scarcity with transfer learning 2017 Maxwell L. Hutchinson
Erin Antono
Brenna M. Gibbons
Sean Paradiso
Julia Ling
Bryce Meredig
1
+ PDF Chat ImageNet Large Scale Visual Recognition Challenge 2015 Olga Russakovsky
Jia Deng
Hao Su
Jonathan Krause
Sanjeev Satheesh
Sean Ma
Zhiheng Huang
Andrej Karpathy
Aditya Khosla
Michael S. Bernstein
1
+ 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
1
+ First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties 2013 O. Anatole von Lilienfeld
1
+ PDF Chat Electronic structure calculations with dynamical mean-field theory 2006 Gabriel Kotliar
Sergey Y. Savrasov
Kristjan Haule
V. S. Oudovenko
Olivier Parcollet
Chris A. Marianetti
1
+ PDF Chat A variational eigenvalue solver on a photonic quantum processor 2014 Alberto Peruzzo
Jarrod R. McClean
Peter Shadbolt
Man‐Hong Yung
Xiaoqi Zhou
Peter J. Love
Alán Aspuru‐Guzik
Jeremy L. O’Brien
1
+ PDF Chat Comment on “Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning” 2012 Jonathan E. Moussa
1
+ Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach 2015 Raghunathan Ramakrishnan
Pavlo O. Dral
Matthias Rupp
O. Anatole von Lilienfeld
1
+ PDF Chat Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide 2015 Federico Brivio
Jarvist M. Frost
Jonathan M. Skelton
Adam Jackson
Oliver J. Weber
Mark T. Weller
A. R. Goñi
Aurélien M. A. Leguy
Piers R. F. Barnes
Aron Walsh
1
+ PDF Chat Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics 2018 Linfeng Zhang
Jiequn Han
Han Wang
Roberto Car
E Weinan
1
+ 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
1
+ PDF Chat Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces 2008 John P. Perdew
Adrienn Ruzsinszky
Gábor I. Csonka
Oleg A. Vydrov
Gustavo E. Scuseria
Lucian A. Constantin
Xiaolan Zhou
Kieron Burke
1
+ PDF Chat Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach 2013 Hongjun Xiang
Bing Huang
Erjun Kan
Su‐Huai Wei
Xin-Gao Gong
1
+ PDF Chat Machine learning of accurate energy-conserving molecular force fields 2017 Stefan Chmiela
Alexandre Tkatchenko
Huziel E. Sauceda
Igor Poltavsky
Kristof T. Schütt
Klaus‐Robert Müller
1
+ PDF Chat Machine learning based interatomic potential for amorphous carbon 2017 Volker L. Deringer
Gábor Cśanyi
1
+ PDF Chat Kohn-Sham potential with discontinuity for band gap materials 2010 Mikael Kuisma
Jussi Ojanen
Jussi Enkovaara
Tapio T. Rantala
1
+ PDF Chat How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids 2017 Fleur Legrain
Jesús Carrete
Ambroise van Roekeghem
Stefano Curtarolo
Natalio Mingo
1
+ PDF Chat MoleculeNet: a benchmark for molecular machine learning 2017 Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
Caleb Geniesse
Aneesh Pappu
Karl Leswing
Vijay S. Pande
1
+ PDF Chat Predicting Crystal Structures with Data Mining of Quantum Calculations 2003 Stefano Curtarolo
Dane Morgan
Kristin A. Persson
John R. Rodgers
Gerbrand Ceder
1
+ PDF Chat Uncovering structure-property relationships of materials by subgroup discovery 2017 Bryan R. Goldsmith
Mario Boley
Jilles Vreeken
Matthias Scheffler
Luca M. Ghiringhelli
1
+ PDF Chat Local Polar Fluctuations in Lead Halide Perovskite Crystals 2017 Omer Yaffe
Yinsheng Guo
Liang Z. Tan
David A. Egger
Trevor D. Hull
Constantinos C. Stoumpos
Fan Zheng
Tony F. Heinz
Leeor Kronik
Mercouri G. Kanatzidis
1
+ PDF Chat High performance of mixed halide perovskite solar cells: Role of halogen atom and plasmonic nanoparticles on the ideal current density of cell 2017 Mohammad Ali Mohebpour
Mohaddeseh Saffari
H. Rahimpour Soleimani
Meysam Bagheri Tagani
1
+ PDF Chat Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3 2015 Carlo Motta
Fedwa El‐Mellouhi
Sabre Kais
Nouar Tabet
Fahhad H. Alharbi
Stefano Sanvito
1
+ PDF Chat Elucidating the Methylammonium (MA) Conformation in MAPbBr<sub>3</sub> Perovskite with Application in Solar Cells 2017 Carlos A. López
M.V. Martı́nez-Huerta
M. Consuelo Álvarez‐Galván
Paula Kayser
Patricia Gant
Andrés Castellanos-Gómez
M. T. Fernández‐Díaz
François Fauth
J. A. Alonso
1
+ Using Machine Learning To Identify Factors That Govern Amorphization of Irradiated Pyrochlores 2017 Ghanshyam Pilania
Karl R. Whittle
Chao Jiang
Robin W. Grimes
Christopher R. Stanek
Kurt E. Sickafus
Blas P. Uberuaga
1
+ PDF Chat Three-dimensional imaging of individual point defects using selective detection angles in annular dark field scanning transmission electron microscopy 2016 Jared M. Johnson
Soohyun Im
Wolfgang Windl
Jinwoo Hwang
1