Will's paper with Aaron Sadow is highlighted in ChemistryViews
Congratulations to Jiyong for passing her prelim oral!
Welcome to Kevin Basemann who joins our group and Prof. Aaron Sadow's group as a new graduate student.
Welcome to Dexter Clark and Yichen Liu who join us this spring of 2017 as undergraduate researchers.
Welcome to Yishu (Janus) Zhang as a summer undergraduate researcher.
Welcome to Kenna Rauchenecker as an undergraduate researcher.
Prof. Windus co-chaired the Exascale Requirements Review for Basic Energy Sciences
Congratulations to Jeff Gustafson and Adam Abbot who graduated this Fall and are going on to graduate school in physical chemistry!
125 Spedding Hall
Ames, IA 50011
Welcome to the Windus Group home page!!
We have received funding from the Exascale Computing Project to work on the NWChem and GAMESS projects. We are looking for postdocs with experience in modern C++ programming methods. If you are interested in applying for a position, please send an e-mail to ECPpostdoc@ameslab.gov with a CV, cover letter and list of at least three references.
Theresa is also part of the leadership for the Molecular Science Software Institute. We are currently looking for software scientists. Please go to the website to learn more.
We are located in 121-125 Spedding Hall in Ames Laboratory
at Iowa State University.
Front row: (left to right) Marilu Dick-Perez, Ellie Fought, Jiyoung Lee
Back row: (left to right) Jeff Boschen, Jeff Gustafson, Theresa Windus, Will Everett
Missing: Adam Abbott, Nuwan De Silva, Kenna Rauchenecker, Luke Roskop
Modern theoretical and computational chemical science is a
confluence of mathematics, physics, computer science, chemistry and
sometimes biology. It is at the interface between these disciplines
where many of the most exciting new developments in the field are being
made. The scientific questions being asked demand much more from the
theories, the computational algorithms and the scientist's chemical
intuition than in previous years. Much of Dr. Windus' work in the field
has concentrated on exploring reactions, theories, and methodologies
that are complex in nature and require multiple approaches and large
amounts of computer resources to solve. For example, her work on aerosol
nucleation involves the use of statistical mechanics, quantum mechanics, and
combined quantum and molecular theories on high performance computers
to determine the preferred evaporation rates for small molecular clusters.
Her work at Iowa State focuses on building a research program
to develop new methods and algorithms for high performance
computational chemistry as well as applying those techniques to both
basic and applied research. In particular, she researchs reactions of
heavy element systems (actinides and lanthanides), catalytic reaction mechanisms, combustion reactions,
non-adiabatic reactions, nucleation and growth of aerosol
clusters, and the development of algorithms that run on thousands to ten
thousands of processors.