University of Texas at Austin

Cross-
Cutting
Research Area

Computational Physics

Understanding and predicting physical phenomena through computation

Numerical methods to solve complex problems in physics

The development of mathematical models to rationalize and predict natural phenomena lies at the core of physics. The solution to these models, frequently, can only be found through computation.

An Overview: Computational Physics

What is Computational Physics?

Computational physics sits at the intersection of physics, mathematics and computer science. It is the task of the computational physicist to develop theoretical schemes in which complex physical phenomena are converted into tractable mathematical problems, and to implement numerical algorithms to solve these problems as efficiently as possible. The development of new theories and software, together with an exponential increase in computing power, has enabled a major expansion of the limits to what can be studied through computation. Our researchers are exploring ways to push those limits even further through a range of applications — from the analysis of the global climate system to the prediction of materials’ properties at the quantum mechanical level.

Current research areas

Research is multifaceted, ranging from foundational advances in theory, methods and algorithms, to real-world impact in societal grand challenge problems.

Quantum theory of solids

Quantum theory of solids

Plasma Fusion: Design of Quasi-Axisymmetric Stellarator

Plasma Fusion: Design of Quasi-Axisymmetric Stellarator. With Simons Collaboration on Hidden Symmetries and Fusion Energy

Development, verification, and validation of open-source software

C- Development, verification, and validation of open-source software: EPW, PARSEC, NanoGW

Working with partners

Current partnerships include collaborations with the group of Prof. Emmanuil Kioupakis at the University of Michigan, Ann Arbor and with the group of Prof. Roxana Margine at Binghamton University for the development of the EPW code.

Work on the PARSEC and NanoGW codes is sponsored by the Center for Computational Study of Excited-State Phenomena in Energy Materials (C2SEPEM), which is funded by the Department of Energy.

Centers and Groups

To learn more about projects and people in Computational Physics, explore the centers and groups with research activities in this cross-cutting research area.

Center for Quantum Materials Engineering

Center for Computational Materials

Computational Research in Ice and Ocean Systems Group

News in brief

Oden Institute Announces Inaugural Kay Bailey Hutchison Computational Energy Fellows

News

April 9, 2026

Oden Institute Announces Inaugural Kay Bailey Hutchison Computational Energy Fellows

Two fellows were selected for the new Kay Bailey Hutchison Energy Fellowship, a collaboration between the Oden Institute and the KBH Energy Center. Fellows will focus on nuclear systems and digital twins, using simulation and machine learning to improve energy infrastructure, forecasting, and decision-making.

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Rethinking How Molecules Move in Complex Cellular Environments

News

March 4, 2026

Rethinking How Molecules Move in Complex Cellular Environments

New research shows that molecules moving inside crowded cells do not necessarily diffuse faster when the cellular environment fluctuates. Dmitrii Makarov and Peter Sollich found that even when molecular “traps” in a rough energy landscape rapidly change, the overall diffusion rate can remain the same as if the landscape were frozen, due to reciprocal interactions between the particle and its environment governed by detailed balance. Their findings suggest that classic diffusion models remain valid but may underestimate how rough cellular environments truly are.

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New PNAS Study Reveals Hidden Topological Structure in Polarons

News

Jan. 26, 2026

New PNAS Study Reveals Hidden Topological Structure in Polarons

A new PNAS study led by Oden Institute researchers reveals that polarons in crystalline materials can carry stable, symmetry-protected swirling atomic patterns, uncovering hidden structure that reshapes how scientists understand charge and energy transport in technologies like solar cells, LEDs, and electronic devices.

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