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Laura Gagliardi

Professor

University of Chicago

United States

Research Interests

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Professors in United States Professors in Condensed Matter Physics Condensed Matter Physics professors in United States

Articles (21)

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Collaborators (19)

Joern Ilja Siepmann

Professor

University of Minnesota System

UNITED STATES

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Xiaoliang Wang

Research Associate

Northwestern University

UNITED STATES

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Matthew Krzyaniak

Northwestern University

UNITED STATES

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Fei Wang

Tenure-track Professor

Nankai University

CHINA

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Joseph M. Sperling

Research Assistant Professor

Colorado School of Mines

UNITED STATES

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Peter Maurer

Assistant Professor

University of Chicago

UNITED STATES

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Mouzhe Xie

Assistant Professor

Arizona State University

UNITED STATES

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Kaikai Ma

The Hong Kong Polytechnic University

HONG KONG

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Michael R. Wasielewski

Professor

Northwestern University

UNITED STATES

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Donald Truhlar

Faculty, Regents Professor

University of Minnesota

UNITED STATES

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Ruixue Zhao

Technical University of Munich

GERMANY

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Andrew Ferguson

Professor

University of Chicago

UNITED STATES

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Haomiao Xie

Research Associate

Northwestern University

UNITED STATES

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Christopher Knight

Assistant Computational Scientist

Argonne National Laboratory

UNITED STATES

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Zihui Zhou

Assistant Professor

Tsinghua University

CHINA

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Rishu Khurana

University of Chicago

UNITED STATES

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Omar Yaghi

James and Neeltje Tretter Chair Professor of Chemistry

University of California, Berkeley

UNITED STATES

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Milad Ahmadi Khoshooei

Research Associate

Northwestern University

UNITED STATES

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Thomas Albrecht

University Distinguished Professor

Colorado School of Mines

UNITED STATES

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Laura Gagliardi

Research Interests

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Articles (21)

Discovery of Stacking Heterogeneity, Layer Buckling, and Residual Water in COF-999-NH2 and Implications on CO2 Capture

Linearized Pair-Density Functional Theory with Spin–Orbit Coupling

High-Pressure Effects on an Octa-Hydrated Curium Complex: An Experimental and Theoretical Investigation

Author Correction: Introducing metal–sulfur active sites in metal–organic frameworks via post-synthetic modification for hydrogenation catalysis

Introducing metal–sulfur active sites in metal–organic frameworks via post-synthetic modification for hydrogenation catalysis

Cross-aldol condensation on missing linker sites of metal–organic framework UiO-66

Electronically Tunable Low-Valent Uranium Metallacarboranes

Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units

Computing Reaction Kinetics with MC-PDFT–OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling

A fluorescent-protein spin qubit

Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory

Automated Multireference Vertical Excitations for Transition-Metal Compounds

Bridging the Gap Between Molecules and Materials in Quantum Chemistry with Localized Active Spaces

Cartesian Equivariant Representations for Learning and Understanding Molecular Orbitals

Computation of Auger Electron Spectra in Organic Molecules with Multiconfiguration Pair-Density Functional Theory

Computational Chemistry in the Global South: A Latin American Perspective

Density Matrix Embedding Pair-Density Functional Theory for Molecules

Designing molecular qubits: computational insights into first-row and group 6 transition metal complexes

Enabling Multireference Calculations on Multi-Metallic Systems with Graphic Processing Units

Localized Active Space State Interaction Singles

Divergent Bimetallic Mechanisms in Copper(II)-Mediated C–C, N–N, and O–O Oxidative Coupling Reactions

Collaborators (19)

Joern Ilja Siepmann

Xiaoliang Wang

Matthew Krzyaniak

Fei Wang

Joseph M. Sperling

Peter Maurer

Mouzhe Xie

Kaikai Ma

Michael R. Wasielewski

Donald Truhlar

Ruixue Zhao

Andrew Ferguson

Haomiao Xie

Christopher Knight

Zihui Zhou

Rishu Khurana

Omar Yaghi

Milad Ahmadi Khoshooei

Thomas Albrecht

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