Energy and Sustainability

clay_co2.gifA broad range of projects are being carried out in the areas of energy and sustainability, including improving efficiency in combustion and energy systems, renewable energy, pollution abatement, hydrogen utilization, fuel cells, carbon capture and sequestration, sustainable chemical processes, and design of energy efficient buildings.



Research Topics


Mpourmpakis Alternate Cover Image.png Computational research in nanoscience and materials engineering spans orders of magnitude in time and length scales, ranging from fundamental studies of materials at the atomic level to designing materials with tailored properties on the micron length scale to simulating properties of granular materials on the millimeter length scale, to materials and lifecycle issues associated with macroscale systems.






Research Topics


jz-2016-015024_0002 - Copy.jpgHigh-performance computing plays an integral role in emerging areas of medicine and biology. At the smallest scale, medical and biological research deals with molecular interactions, e.g., modeling of proteins, and enzymes. Modeling of subcellular assemblies, such as ion channels and cell membranes, involves modeling of systems of biomolecules. At still larger scales, entire cellular systems are modeled.



Research Topics

  • Protein folding and binding to increase drug efficiency (Lillian Chong group)
  • Ion transport through biological ion channels to combat the progression and development of diseases (Rob Coalson group)
  • Modeling biological systems in areas such as wound healing and immune responses (Complex Biological Systems Group)
  • Creating models of how the brain and immune system function and change over time in response to certain illnesses, infections, and treatment 
    (G. Bard Ermentrout Group)
  • Computational Modeling of Molecular and Cellular Systems 
  • Protein-DNA and protein-drug interactions and biomolecular complexes and assemblies

Public Health

lab_schaid_main_image-8col.jpgHIgh-performance computing plays a growing role in public health research such as epidemic control and behavioral dynamics.




Research Topics

  • Modeling pan-epidemics
  • Genetic epidemiology


Economics and the Social Sciences - Computer modeling is playing an increasingly important role in economic forecasting and in predicting human behavior in response to various economic contingencies. Pitt researchers are working to develop numerical methods capable of converting theoretical models into statistical models capable of quantifying predicted reactions to various contingencies. The ultimate goal is to guide policy decisions regarding, for example, social security reform, credit-market interventions, etc.




Research Topics


modeling complex.jpg







Advanced visualization methods are essential in the modeling of complex systems. Modern visualization research involves the development of new techniques to blend modeling, simulation, visualization, and analysis of data into a seamless loop. The loop provides computational steering and helps guide investigations.


Other Areas








Many other areas within the University of Pittsburgh take advantage of the high-performance computing resources of the Center for Research computing, including modeling and simulations in high-energy physics, astronomy, geology and spacecraft engineering.