Dr. Ruth Misener *12 and Christodoulos A. Floudas, Stephen C. Macaleer '63 Professor in Engineering and Applied Science, have developed the software ANTIGONE (Algorithms for coNTinuous / Integer Global Optimization of Nonlinear Equations), a computational framework for globally optimizing nonconvex mixed-integer nonlinear programs (MINLP). Deterministic global optimization of MINLP is broadly applicable in areas ranging from molecular biology to refinery operations to computational che
Christodoulos Floudas, Stephen C. Macaleer '63 Professor in Engineering and Applied Science, Professor of Chemical and Biological Engineering, has been named a fellow of the Society for Industrial and Applied Mathematics (SIAM). Floudas was recognized “for contributions to global optimization and its application to a wide range of problems spanning systems engineering and computational biology.” The SIAM Fellows Program “honors SIAM members who are recognized by
Fourth-year Ph.D. student Eric First, representing a team including his advisor, Professor Christodoulos Floudas, and Postdoctoral Associate Faruque Hasan, took home Second Place (and $10,000 in flexible research funding) at Princeton’s 8th Annual Innovation Forum, held on March 12. Sponsored by the Keller Center for Innovation in Engineering Education, the purpose of the Innovation Forum is to showcase Princeton research that offers the potential to be commercialized. First&rs
Research led by Christodoulos Floudas, Stephen C. Macaleer ’63 Professor of Engineering and Applied Science, has demonstrated that duckweed, an aquatic plant that floats on or near the surface of still or slow-moving freshwater, is ideal as a raw material for biofuel production. It grows fast, thrives in wastewater that has no other use, does not impact the food supply and can be harvested more easily than algae and other aquatic plants. A paper published recently in the journa
Research from the group of Christodoulos Floudas, Stephen C. Macaleer ’63 Professor of Engineering and Applied Science, has demonstrated a path to the U.S. production of synthetic fuels by the Fischer-Tropsch process at costs comparable to current crude oil prices, and with a net reduction in CO2 emissions of as much as 50%. The key is an optimally-distributed network of plants sited throughout the U.S., with the use of switchgrass (in conjunction with coal and natural gas) to achiev
Ruth Misener, a fifth-year CBE Ph.D. student working with Professor Christodoulos Floudas, has been awarded a 2012 Research Fellowship from the United Kingdom’s Royal Academy of Engineering. This postdoctoral fellowship will fund Ruth and her associated research costs for five years after her graduation from Princeton. Ruth will be based in the Department of Chemical Engineering at Imperial College London, developing a hybrid computational/experimental approach towards personal
Fourth-year CBE Ph.D. student Josephine Elia has been selected by the Andlinger Center for Energy and the Environment (ACEE) to receive the inaugural Maeder Graduate Fellowship in Energy and the Environment for the coming academic year, 2012-2013. Josephine is working with Professor Christodoulos Floudas on the computational discovery and operation of hybrid energy processes, whereby a broad range of raw resources (coal, biomass, and natural gas) can be converted to an optimal mix of
A cross-disciplinary collaboration among four research teams from three continents has developed novel peptides that have the potential to treat diseases involving inflammation, such as asthma, rheumatoid arthritis, stroke, reperfusion injuries, and sepsis. This work is reported in a research article published in the May 10 issue of the Journal of Medicinal Chemistry. The collaboration includes Christodoulos Floudas, Stephen C. Macaleer ’63 Professor of Engineering and Applied Scienc
Christodoulos Floudas, Professor of Chemical and Biological Engineering, and Stephen C. Macaleer ’63 Professor in Engineering and Applied Science, has been selected for China’s “One Thousand Global Experts - Short Visit” program. This highly competitive program aims at attracting distinguished scientists and engineers of any nationality for short visits to China over the next five to ten years. Professor Floudas’ host institution is the Wuhan University of Science a
Ruth Misener and Professor Christodoulos A. Floudas, Stephen C. Macaleer '63 Professor in Engineering and Applied Science, have developed the software GloMIQO (Global Mixed-Integer Quadratic Optimizer), now commercially available though Princeton University and the GAMS Development Corporation. GloMIQO provides optimal solutions for problems ranging from blending/pooling problems, to hybrid energy systems, to de novo protein design, to crude oil scheduling, to financial portfolio management.
This Saturday, February 25, both a CBE alumna and a current CBE graduate student will be recognized by the University at Alumni Day with two of its top honors. Lisa P. Jackson, Administrator of the U.S. Environmental Protection Agency, will receive the Madison Medal, presented each year to an alumnus or alumna of the Graduate School who has had a distinguished career, advanced the cause of graduate education or achieved an outstanding record of public service. Jackson received her M.
The January 18 issue of the Princeton Alumni Weekly, mailed to all Princeton alumni, carried as an insert the Winter 2012 issue of the EQuad News, dedicated to “Exploring the Intersection between Engineering and Health”, in which several CBE faculty members were prominently featured. An article on “Designing New Biological Molecules to Fight Bacteria and Cancer” described the experimental work in the group of Assistant Professor A. James Link on designing antimicrob
A computational approach for characterizing the microporous networks of zeolites has been developed by graduate student Eric First in collaboration with post-doctoral fellow Dr. Chrysanthos Gounaris, Prof. James Wei, and Prof. Christodoulos Floudas in the Computer-Aided Systems Laboratory. ZEOMICS, a web tool implementing the method and online database of zeolite characterizations, has been highlighted on Princeton's Aspire blog. It is also cross-posted on Annual Giving's Princeto
ASTRO-FOLD, a first principles method for protein structure prediction, is based on an overall deterministic global optimization framework (αBB) coupled with a stochastic algorithm, conformational space annealing (CSA).
We have developed a new computational framework to fully characterize the three-dimensional porous structure of zeolites, microporous aluminosilicate crystals used in catalysis and separations.
The United States transportation sector's dependence on petroleum has motivated efforts to discover alternative energy sources and processes to fulfill the nation's demand. A novel hybrid coal, biomass, and natural gas to liquid (CBGTL) process has been developed to produce gasoline, diesel, and kerosene in ratios consistent with the United States transportation demands.
Using tandem mass spectrometry and mixed-integer linear optimization, a comprehensive list of proteins along with their corresponding post-translational modifications can be derived. Given a mixture of unknown proteins that may be post-translationally modified, liquid chromatography and tandem mass spectrometry (LC-MS/MS) is used to separate, ionize, and fragment the digested peptides from the mixture.
De novo protein design seeks to determine the amino acid sequence or sequences that will fold into a given 3-dimensional template. One application of protein design is to discover novel peptide sequences that will bind with greater affinity than the native sequence to a target protein. Many computational tools are utilized to achieve this desired result.
The pooling problem is a challenge seeking to maximize profit subject to feedstock availability, intermediate storage capacity, demand, and product specifications on a network of interconnected nodes. We have extended the pooling problem to incorporate the Environmental Protection Agency's Complex Emissions Model into the constraint set so that the final products comply with United States reformulated gasoline standards.
We propose a novel intertwined hybrid approach that exploits synergies among exact and metaheuristic algorithms to solve efficiently various Routing problems. The overall approach is exact, that is, it maintains the theoretical guarantee of reaching an optimal solution, but relies heavily on problem-specific heuristic components to accelerate the search.
The PILOT_PTM algorithm is designed to search the universe of post-translational modifications and annotate a peptide sequence with the modifications that best explain the experimental data. The overall framework for PILOT_PTM consists initially of the identification of globally and locally significant peaks. The highest intensity filtered peaks are labeled as globally significant.
The locations of hybrid coal, biomass, and natural gas to liquid (CBGTL) plants are dependent on (i) the locations and availabilities of the three feedstocks, and (ii) the locations and amount of product demands. An optimal energy supply chain network that lays out the most strategic locations for the new CBGTL plants is obtained by solving a mixed integer linear optimization model.
Christodoulos Floudas, Stephen C. Macaleer '63 Professor in Engineering and Applied Science, Professor of Chemical and Biological Engineering, has been elected to the National Academy of Engineering (NAE), as announced in a press release issued today. Floudas was cited “for contributions to theory, methods, and applications of global optimization in process systems engineering, computational chemistry, and molecular biology.” Election to the National Academy of Engineering (estab
A research team led by Christodoulos Floudas, Stephen C. Macaleer '63 Professor in Engineering and Applied Science, has developed a new computational design framework for peptides that act as HIV-1 entry inhibitors. By combining sequence selection and binding affinity calculations for a range of 12-amino-acid-long peptides, the team identified the candidates which offered the “best fit” into a particular binding site on the HIV-1 virus. Five of these candidate peptides were then
Recent collaborative work between Professor Christodoulos Floudas and Professor Benjamin Garcia (Princeton Molecular Biology) was selected to appear in the Faculty of 1000 Biology. Faculty of 1000 Biology is an award-winning online service that highlights and evaluates the most interesting papers published in the biological sciences, based on the recommendations of over 2000 of the world's top researchers.
Professor Christodoulos A. Floudas has been invited to present the 2008 Professor Roger W.H. Sargent Lecture in the Department of Chemical Engineering at Imperial College, London.
The NMR structure of the HIV-1 gp120-CD4-CCR5 complex was employed as the flexible design template for the de novo design of a gp 120 inhibitor by optimizing the residues of CCR5. The flexibility of the V3 loop of gp120 is modeled by overlaying other NMR structures for the loop on top of the original single complex structure.
The top-half of the figure illustrates the study of proteomics using tandem mass spectrometry. The bottom-half of the figure illustrates several of the applications for optimal methods that we have developed for clustering based on mixed-integer linear optimization (MILP).
The central goal of our research is to develop sophisticated, robust, and industrially relevant frameworks aimed at improving process efficiency and profitability.
This is a map of the extent of strain experienced by popular molecules when they go through the pores of a class of absorbent materials known as zeolites.
The protein folding problem is one of the most challenging and interesting problems in computational biology. The main aim is to predict the final three dimensional structure of the protein, given its amino acid sequence.
The much-awaited second edition of the "Encyclopedia of Optimization", edited by Christodoulos Floudas of Princeton and Panos Pardalos of Florida, will appear in October 2008.
Professor Christodoulos Floudas will be a recipient of the 2007 Graduate Mentoring Award.
Recent research by graduate student Peter DiMaggio and Professor Chris Floudas to develop a new algorithm for peptide sequencing was featured in the "Toolbox" section of the Journal of Proteome Research.
Professor Christodoulos A. Floudas has been named the Stephen C. Macaleer '63 Professor in Engineering and Applied Science, Professor of Chemical Engineering.
Christodoulos Floudas and Sankaran Sundaresan were recently named to the Commendation List for Outstanding Teaching by the School of Engineering and Applied Science.
Professor Christodoulos Floudas has won the 2006 Computing in Chemical Engineering Award from AIChE.
Professor Christodoulos Floudas, and graduate student Stacy Janak derived a mathematical formual to facilitate the National Science Foundation's (NSF) administration of grant proposals, which now might change the way jobs are assigned in everything from hospitals to the government.