Chemistry and Biochemistry

Daniel H. Ess

Daniel Ess

Office: C403 BNSN
Office Phone: 801-422-9164


Additional Research Areas: Inorganic Chemistry, Physical Chemistry

BS, Brigham Young University (2000)

Ph.D., University of California, Los Angeles (2007)

Postdoctoral Scholar, California Institute of Technology, Materials and Process Simulation Center (2007-2009)

Postdoctoral Scholar, The Scripps Research Institute, Scripps Florida (2007-2009)

Postdoctoral Scholar, University of North Carolina at Chapel Hill, Energy Frontier Research Center: Solar Fuels and Next Generation Photovoltaics (2009-2010)

View all publications here.

Curriculum Vitae

Co-Creator of BYU CHEM CAMP for children

Member of The Center for Catalytic Hydrocarbon Functionalization

Software Downloads

MECP Software Downloads


Ess Research Group

My group utilizes and develops quantum-chemistry methods to discover mechanisms, reactivity principles, and selectivity for experimentally important chemical reactions related to catalysis, energy, and organic synthesis. My group emphasizes both quantitative modeling and the development of qualitative models that can be used to make experimental predictions. This naturally leads to close collaboration with experimental groups. My group is involved in five major research areas:


(1) Transition-metal mediated bond activation reactions of small molecules (CH4, H2, etc.) and in organic synthesis.


(2) Transition-metal catalysis and catalyst design.


(3) Main-group/p-block small molecule bond activation reactions and organic transformations.


(4) Organic reactions and catalysis.


(5) Computational methods testing and development.


Research supported by ACS Petroleum Research Foundation, Department of Energy, Utah State, Chevron-Phillips Chemical Co., and National Institutes of Health