Current Research in the Cundari group

Research in the Cundari Group covers a wide range of chemical problems and utilizes a multitude of techniques. Catalyst modeling remains a major point of interest, and our group currently participates in two national centers focused on catalysis: CENTC and CCHF.

Additionally, our group collaborates with individual PI's on areas of mutual interest within the catalysis realm. Other areas of interest include multiscale modeling of materials, metal-organic materials for electronic devices and protein modeling.

In addition to their intrinsic importance, and diversifying the research skill set of our group, an underlying theme is to leverage new expertise for application to our ultimate goal - true catalyst design, particularly for areas in which there is currently no good solution such as high-yield partial oxidation of methane.

Our current research interests are laid out in the student and postdoctoral web pages, as well as from perusing our recent publications. Additionally, some other important aspects of the Cundari Group research experience are given here.

  1. Collaboration. The modern scientific research paradigm has shifted to a multi-investigator, multi-disciplinary model. Chemists routinely work with non-chemists, theorists routinely work with experimentalists. Hence, virtually every project in our group is part of a collaboration, either with individual PI's or national centers. Such projects help Cundari Group students develop their collaborative skills.
  2. Diversity. Students in the Cundari Group are exposed to a wide array of chemical problems and computational techniques: from bioinformatics to solid-state modeling, and from molecular quantum mechanics to coarse-grained MD simulations.
  3. Communication. Being able to clearly and enthusiastically convey one's research is perhaps the most important skill for early-career scientists. Thus, Cundari Group students receive ample opportunity to write papers, give talks at scientific meetings, or present their results at teleconferences for the national centers we participate in.
  4. Productivity. Papers in refereed journals, talks at national scientific meetings and advanced degrees are the basic currency of academic science. Our group is fortunate to have world-class computing facilities and Cundari Group students have access to expertise of the other CASCaM faculty. Long story, short: we have all the tools (and thus the expectation) for students and postdoctorals to be extremely productive during their time in Denton.
  5. Independence. Simply put, by the time you graduate, you should be able to conduct scientific research with little assistance and despite minor interference on my part. Also, one might assume that you work with junior Cundari Group members to assist them in their development as an independent scientist.
  6. Fun. As long as progress is made in the above 5 areas, I would like your experience in the Cundari Group should be an enjoyable one.