Natalie Holzwarth

Research Professor

Wake Forest University

United States

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Natalie Holzwarth is a Research Professor at Wake Forest University, United States. Her research focuses on computational investigations of lithium boracites and thio-boracites, analyzing their structural and electrolyte properties for applications in solid-state lithium-ion batteries. Recent publications include works on first-principles simulations of various lithium compounds and their potential as solid electrolytes.

Articles (10)

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2024

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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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2021

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2021

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2021

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2021

Collaborators (2)

Michel Côté

Professor (Physics)

Université de Montréal

CANADA

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Marc Torrent

Université Paris-Saclay

FRANCE

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Natalie Holzwarth

Research Interests

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Articles (10)

Computational investigation of the structural and electrolyte properties of the extended family of lithium (thio)boracite materials: Li4B7O12Cl and beyond

Erratum: First-principles simulations of Li boracites Li4B7O12Cl and Li5B7O12.5Cl [Phys. Rev. Materials 6 , 025401 (2022)]

Cubic spline solver for generalized density functional treatments of atoms and generation of atomic datasets for use with exchange-correlation functionals including meta-GGA

Simulations and Analyses of Li4 and Li6 Boracites and Thioboraocites As Promising Li Ion Conducting Electrolytes

First-principles simulations to understand the structural and electrolyte properties of idealized Li7.5B10S18X1.5 (X=Cl, Br, I)

First-principles simulations of Li boracites Li4B7O12Cl and Li5B7O12.5Cl

Computational Investigation of Known and Predicted Li Boracites Li4B7O12Cl and Li4B7S12Cl as Solid Electrolytes Having Possible Applications for Developing All Solid-state Li Ion Batteries

First Principles Simulations to Understand the Structural and Electrolyte Properties of Idealized Li7.5B10S18X1.5 (X = Cl, Br, I) Li Superionic Conductors Recently Identified in the Experimental Literature

Computational study of Li3BO3 and Li3BN2 I: Electrolyte properties of pure and doped crystals

Computational study of Li3BO3 and Li3BN2 II: Stability analysis of pure phases and of model interfaces with Li anodes

Collaborators (2)

Michel Côté

Marc Torrent

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