Ismaila Dabo

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Bio

The Materials Optimization and Simulation by Ab Initio Computation (MOSAIC) group develops molecular and submolecular computational models to understand, predict, and maximize the performance of materials for energy conversion and storage. The focus is on electrochemistry to produce electricity from fuels and on photochemistry to produce fuels from sunlight.

Research Interests

Papers共 170 篇Author StatisticsCo-AuthorSimilar Experts

By YearBy Citation主题筛选期刊级别筛选合作者筛选合作机构筛选

Transparent Correlated Metallic Perovskites with Conducive Chemical Disorder

Saeed S. I. Almishal, Pat Kezer, Yasuyuki Iwabuchi,Jacob T. Sivak,Sai Venkata Gayathri Ayyagari,Saugata Sarker, Matthew Furst, Gerald Bejger, Billy Yang,Simon Gelin,Nasim Alem,Ismaila Dabo,Christina M. Rost,Susan B. Sinnott,Vincent Crespi,Venkatraman Gopalan, Roman Engel-Herbert,John T. Heron,Jon-Paul Maria

arxiv（2025）

Cited0Views0Bibtex

Proximity Ferroelectricity in Wurtzite Heterostructures

Chloe H. Skidmore,R. Jackson Spurling,John Hayden,Steven M. Baksa,Drew Behrendt,Devin Goodling, Joshua L. Nordlander, Albert Suceava,Joseph Casamento,Betul Akkopru-Akgun,Sebastian Calderon,Ismaila Dabo,Venkatraman Gopalan,Kyle P. Kelley,Andrew M. Rappe,Susan Trolier-McKinstry,Elizabeth C. Dickey,Jon-Paul Maria

NATUREno. 8046 (2025)

Cited0Views0WOSNATUREBibtex

Order Evolution from a High-Entropy Matrix: Understanding and Predicting Paths to Low Temperature Equilibrium

Saeed S. I. Almishal,Leixin Miao,Yueze Tan,George N. Kotsonis,Jacob T. Sivak,Nasim Alem,Long-Qing Chen,Vincent H. Crespi,Ismaila Dabo,Christina M. Rost,Susan B. Sinnott,Jon-Paul Maria

JOURNAL OF THE AMERICAN CERAMIC SOCIETYno. 2 (2025)

Cited1Views0Bibtex

Nanoscale Confinement of Phonon Flow and Heat Transport

Albert Beardo,Weinan Chen,Brendan McBennett, Tara Karimzadeh Sabet, Emma E. Nelson, Theodore H. Culman,Henry C. Kapteyn,Joshua L. Knobloch, Margaret M. Murnane,Ismaila Dabo

npj Computational Materialsno. 1 (2025): 1-10

Cited0Views0Bibtex

Atomistic Understanding of Hydrogen Coverage on RuO2(110) Surface under Electrochemical Conditions from Ab Initio Statistical Thermodynamics

Lei Zhang,Jan Kloppenburg, Chia-Yi Lin, Luka Mitrovic,Simon Gelin,Ismaila Dabo,Darrell G. Schlom,Jin Suntivich,Geoffroy Hautier

arxiv（2024）

Cited0Views0Bibtex

Probing Intermediate Configurations of Oxygen Evolution Catalysis Across the Light Spectrum

Jin Suntivich,Geoffroy Hautier,Ismaila Dabo,Ethan J. Crumlin,Dhananjay Kumar,Tanja Cuk

Nature Energy (2024)

Cited4Views0WOSNATUREBibtex

Can Domain Knowledge Benefit Machine Learning for Concrete Property Prediction

Zhanzhao Li,Te Pei,Weichao Ying,Wil V. Srubar, Rui Zhang,Jinyoung Yoon,Hailong Ye,Ismaila Dabo,Aleksandra Radlinska

JOURNAL OF THE AMERICAN CERAMIC SOCIETYno. 3 (2024): 1582-1602

Cited6Views0Bibtex

Ternary Oxides of S- and P-Block Metals for Photocatalytic Solar-to-hydrogen Conversion

Simon Gelin,Nicole E. Kirchner-Hall,Rowan R. Katzbaer,Monica J. Theibault,Yihuang Xiong, Wayne Zhao,Mohammed M. Khan, Eric Andrewlavage,Paul Orbe,Steven M. Baksa,Matteo Cococcioni,Iurii Timrov,Quinn Campbell,Héctor Abruña,Raymond E. Schaak,Ismaila Dabo

PRX Energyno. 1 (2024)

Cited5Views0Bibtex

Simulation of Electrochemical Oxidation in Aqueous Environments under Applied Voltage Using Classical Molecular Dynamics

Stephen Holoviak,Ismaila Dabo,Susan Sinnott

The Journal of Physical Chemistry Ano. 11 (2024): 2236-2244

Cited1Views0WOSBibtex

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Associate Professor

Papers共 170 篇Author StatisticsCo-AuthorSimilar Experts