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Asta Research Group

Computational Materials Science

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Ordering in High Entropy Alloys

How the local moments of Cr atoms influence bulk mechanical properties of advanced alloys

Chromium Solvation in Molten Floride Salts

Understanding how to mitigate corrosion in metal/molten-salt systems using ab-initio molecular dyanamics

High-Throughput Atomistic Calculations

Developing tools for materials discovery using machine learning and data science

Microstructural Effects in Dealloying

Predicting how metals evolve in nuclear reactors

Welcome to the Asta Group

We leverage state-of-the-art computational techniques and resources to study advanced materials for the next generation of engineering technologies. Our current research area focuses include advanced structural alloys, functional semiconductors, Generation IV nuclear reactor materials, and code development. We are located in the Department of Materials Science and Engineering at the University of California, Berkeley.

Recent News

September 2024

Buyu completes her Ph.D. in Materials Science and Engineering!

Mark passes the qualifying exam and advances to Ph.D. candidacy!
August 2024

Pragalbh joins the Asta group to begin the Ph.D. in Materials Science and Engineering. Welcome, Pragalbh!

Prof. Ridwan Sakidja wraps up his visiting faculty stint! Ridwan worked with us this summer to develop atomistic models of alloys corroding in molten salt.

Enze publishes his open-source tool for uncovering ground state interface structures with application to grain boundaries in titanium in Nat. Commun.

Flynn’s article in Science Advances shows how extra electron diffractions in high-entropy alloys can result from origins besides short-range ordering.

Nathan and Mark’s co-authored work investigating corrosion morphology of NiCr alloys exposed to molten salt is published in JES.

Mark Ma and Mark Asta’s co-authored work on thickness-dependent tuning of band structure and excitonic properties in ultrathin MAPbI3 perovskite for multiple quantum well applications is published in ACS Energy Letters.
July 2024

Nathan wins the award for best poster at the Gordon Research Conference for Computational Materials Science and Engineering!
June 2024

Anas’s concentration-wave model for predicting short-range ordering kinetics in high-entropy alloys is available online in Scripta Materialia.
April 2024

Shivani completes her Ph.D. in Materials Science and Engineering! Shivani will start as a Postdoctoral Researcher at Lawrence Livermore National Lab.
Kuner’s work in Comput. Mater. Sci. shows how high-entropy alloy properties can be calculated using DFT on small sets of binary and ternary structures.

Madelyn, Pedro, Wenqing, Flynn, and Mark’s coauthored study showing how kink bands control fracture in high entropy alloys is published in Science.
February 2024

Pedro passes the qualifying exam and advances to Ph.D. candidacy!
January 2024

Pedro’s work examining the role of group IV and V elements in stabilizing the BCC structure in high entropy alloys is published in Acta Materialia.

Andrea and Mark’s coauthored paper investigating the atomic structure of molten FLiBe salt is published in PRX Energy.

Wenqing’s study using hybrid MD with Monte Carlo to characterize dislocation energetics in high-entropy alloys is published in Phys. Rev. M.
December 2023

Enze graduates with his Ph.D. in Materials Science and Engineering and will start as a Lecturer at Stanford University in the new year!

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