Mark Asta

32PUBLICATIONS

195CO-AUTHORS

CeramicsComputational chemistryMetal organic frameworksChemical and thermal processes in energy and combustionElectrical energy storage

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Publications (32)

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|May 20, 2026

Nanocrystal Geometry Governs Phase Transformation Pathways in Palladium Hydride.

|Nov 13, 2025

A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Sep 10, 2025

Density Functional Theory Study of Iron-Oxygen Divacancies in Magnetite (Fe3O4) and Hematite (Fe2O3).

Shivani Srivastava, Blas Pedro Uberuaga, Mark Asta

|Aug 07, 2025

SuperSalt: equivariant neural network force fields for multicomponent molten salts system.

Chen Shen, Siamak Attarian, Yixuan Zhang

|Aug 01, 2025

Memsensing by surface ion migration within Debye length.

Ruihan Guo, Qixin Feng, Ke Ma

|Jun 20, 2025

Multistage nucleation pathway in LiF molten salt mirrors the crystal-melt interface structure.

Zhao Fan, Deepak Rawat, Piotr Zarzycki

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Frequent Collaborators

13 joint publications

Andrew M Minor

11 joint publications

Robert O Ritchie

Ruopeng Zhang

Karen C Bustillo

Flynn Walsh

Haimei Zheng

Jun Ding

Colin Ophus

David L Olmsted

Mingwei Zhang

Frequent Collaborators

13 joint publications

Andrew M Minor

11 joint publications

Robert O Ritchie

6 joint publications

Ruopeng Zhang

5 joint publications

Karen C Bustillo