Daniel Schwalbe-Koda

Assistant Professor

University of California, Los Angeles

United States

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Articles (15)

Year:

2023

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2023

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2023

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2023

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2023

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2023

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2023

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2022

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2022

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2022

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2022

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2022

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2022

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2021

Year:

2021

Collaborators (7)

Shane Ardo

University of California, Irvine

UNITED STATES

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Tom Willhammar

SWEDEN

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Kevin Greenman

Assistant Professor

Catholic University of America

ITALY

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LIVIA GIORDANO

Associate professor

University of Milano-Bicocca

ITALY

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Rafael Gomez-Bombarelli

Assistant Professor

Massachusetts Institute of Technology

UNITED STATES

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Reshma R. Rao

Imperial College London

UNITED KINGDOM

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Daniel Esposito

Associate Professor

Columbia University

UNITED STATES

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Daniel Schwalbe-Koda

Research Interests

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Articles (15)

Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others

Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H<sub>2</sub> and O<sub>2</sub> Evolution

mkite: A distributed computing platform for high-throughput materials simulations

mkite: A distributed computing platform for high-throughput materials simulations

Data efficiency and extrapolation trends in neural network interatomic potentials

Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances

Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances

Human- and machine-centred designs of molecules and materials for sustainability and decarbonization

Sampling lattices in semi-grand canonical ensemble with autoregressive machine learning

Repurposing Templates for Zeolite Synthesis from Simulations and Data Mining

Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

Learning Matter: Materials Design with Machine Learning and Atomistic Simulations

Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

Data-Driven Design of Biselective Templates for Intergrowth Zeolites

A priori control of zeolite phase competition and intergrowth with high-throughput simulations

Collaborators (7)

Shane Ardo

Tom Willhammar

Kevin Greenman

LIVIA GIORDANO

Rafael Gomez-Bombarelli

Reshma R. Rao

Daniel Esposito

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