in memoriam christodoulos (chris) a. floudas - …focapo-cpc.org/pdf/floudas.pdfde novo. protein...

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Director, Texas A&M Energy Institute, Erle Nye '59 Chair Professor for Engineering Excellence Texas A&M University Stephen C. Macaleer '63 Professor in Engineering and Applied Science, Emeritus Professor of Chemical and Biological Engineering, Emeritus Princeton University Christodoulos (Chris) A. Floudas 1959-2016 In Memoriam Huge loss to Process Systems Engineering Community

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Director, Texas A&M Energy Institute, Erle Nye '59 Chair Professor for Engineering Excellence Texas A&M University

Stephen C. Macaleer '63 Professor in Engineering and Applied Science, Emeritus Professor of Chemical and Biological Engineering, Emeritus Princeton University

Christodoulos (Chris) A. Floudas1959-2016

In Memoriam

Huge loss to Process Systems Engineering Community

Diploma of Chemical Engineering, Aristotle University of Thessaloniki (1982)

Joined Carnegie Mellon in September 1982

Obtained Ph.D. degree in 1986 (advisor Ignacio Grossmann)Ph.D. thesis: "Synthesis and Analysis of Flexible Energy Recovery Systems".

Publications from Ph.D. work

Floudas, C.A., A.R. Ciric and I.E. Grossmann, "Automatic Synthesis of OptimalHeat Exchanger Network Configurations," AIChE J. 32, 276 (1986).

367 citationsFloudas, C.A. and I.E. Grossmann, "Synthesis of Flexible Heat Exchanger Networks for Multiperiod Operation," Computers and Chemical Engineering 10, 153 (1986).

88 citations Floudas, C.A. and I.E. Grossmann, "Automatic Generation of Multiperiod Heat Exchanger Network Configurations," Computers and Chemical Engineering 11, 123 (1987).

64 citationsGrossmann, I.E. and C.A. Floudas, "Active Constraint Strategy for Flexibility Analysisin Chemical Processes," Computers and Chemical Engineering 11, 675 (1987).

297 citationsFloudas, C.A. and I.E. Grossmann, "Synthesis of Flexible Heat Exchanger Networks with Uncertain Flowrates and Temperatures," Computers and Chemical Engineering 11, 319 (1987). 111 citations

Chris was a pioneer of superstructure optimization

Professor Christodoulos A. FloudasResearch Activities: Product and Process Design, Synthesis, and Discovery Product and Process Operations: Planning and Scheduling under Uncertainty Discrete-Continuous Nonlinear Optimization Deterministic Global Optimization Bioinformatics and Computational Biology

Key Contributions in:• Theory and algorithms in deterministic global

optimization, derivative-free optimization• Optimization under uncertainty• Planning and scheduling of complex systems• Process synthesis and global optimization for hybrid

energy systems for fuels and chemicals• Protein structure prediction, refinement, and de novo

protein design via deterministic global optimization

Chapter 3: results snapshots Ierapetritou M.G., and C.A. Floudas. Effective Continuous-Time Formulation for Short-Term Scheduling: I. Multipurpose Batch Processes Ind. & Eng. Chem. Res., 37(11), 4341-4359, 1998.328 citations - Initiated a huge level of activity in this area!

“The basic idea of the proposed formulation is that it decouples the task events (i) from the unit events (j). This is achieved by the consideration of different variables to represent the task events (i.e., the beginning of the task), denoted as wv(i,n), and the unit events (i.e., the beginning of unit utilization), denoted as yv(j,n), as shown in Figure 3. If task event i starts at event point n, then wv(i,n) = 1; otherwise, it is zero. If unit event j takes place at event point n, then yv(j,n) = 1; otherwise, it is zero.”

“This results in fewer binary variables and small integrality gaps.”

Process Scheduling

Process Scheduling – other publications for Chris’ labFloudas, C.A., and Lin, X.X. Continuous-time versus discrete-time approaches for scheduling of chemical processes: a reviewComp. Chem. Eng., 28(11), 2109-2129, 2004.313 citations – Great Review of the scheduling work

Ierapetritou M.G., and C.A. Floudas. Effective Continuous-Time Formulation for Short-Term Scheduling: II. Continuous and semi-continuous processesInd. & Eng. Chem. Res., 37(11), 4360-4374, 1998.170 citations – Extension of the original work to cover continuous processes

Lin, X.X., Janak, S.L., and C.A. Floudas. A new robust optimization approach for scheduling under uncertainty: I. Bounded uncertaintyComp. Chem. Eng., 28(6-7), 1069-1085, 2004. 157 citations – Pioneer work in the area of robust scheduling

Janak, S.L., Lin, X.X., and C.A. Floudas. Enhanced continuous-time unit-specific event-based formulation for short-term scheduling of multipurpose batch processes: Resource constraints and mixed storage policiesInd. & Eng. Chem. Res., 43(10), 2516-2533, 2004.109 citations – Smart way to incorporate realistic storage constraints

… and many more

Chris was a pioneer of scheduling modeling and optimization

Global Optimization – Theoretical & Methodological contributionsAdjiman, Dallwig, Floudas, and Neumaier. A global optimization method, αBB, for general twice differentiable NLPs-I. Theoretical advances. Comput Chem Eng, 22:1137–1158, 1998.520 citations – Major advance for global optimization!

Misener R., Christodoulos Achilleus Floudas. SIAG/OPT Views and News. 24(1): 12 - 16, 2016.

Global Optimization – Software Tools

Misener & Floudas. GloMIQO: Global Mixed Integer Quadratic Optimizer. J Glob Optim, 57(1):3– 50, 2013.128 citations – Best Paper of 2013, Journal of Global Optimization!Misener & Floudas. ANTIGONE: Algorithms for coNTinuous Integer Global Optimization of Nonlinear Equations. J Glob Optim, 59(2-3):503–526, 2014.114 citations – Publicly availableBoukouvala, Hasan, & Floudas. Global optimization of general constrained grey-box models: new method and its application to constrained PDEs for pressure swing adsorption. J Glob Optim, 2015. DOI: 10.1007/s10898-015-0376-2.9 citations – Uses the ARGONAUT system

And many more …

Global Optimization – Application DomainsKlepeis, Floudas, Morikis, Tsokos, & Lambris. Design of peptide analogues with improved activity using a novel de novo protein design approach. Ind Eng Chem Res, 43(14):3817–3826, 2004.64 citations – Deep connections with quadratic assignment, now validated with experiments!

McDonald & Floudas, GLOPEQ: A new computational tool for the phase & chemical equilibrium problem.Comput Chem Eng, 21(1):1-23, 1997.156 citations – Best Comput Chem Eng paper of 1997! Gounaris, Misener, & Floudas. Computational comparison of piecewise-linear relaxations for pooling problems. Ind Eng Chem Res, 48(12):5742–5766, 2009. 99 citations Baliban, Elia, and Floudas. Optimization framework for the simultaneous process synthesis, heat and power integration of a thermochemical hybrid biomass, coal, and natural gas facility. Comput Chem Eng, 35(9):1647–1690, 2011.80 citations – 15,439 contin vars, 30 binary vars, 15,636 constraints & 335 nonconvex terms!And many more …

Chris was a pioneer of global optimization

Energy & MaterialsFirst, Gounaris, & Floudas. Computational characterization of zeolite porous networks: an automated approach. Phys Chem Chem Phys, 13(38):17339—17358, 2011.105 citations – Online engine for analysis and discovery of microporous materials!

Elia, Baliban, Xiao, & Floudas, Optimal energy supply network determination and life cycle analysis for hybrid coal, biomass, and natural gas to liquid (CBGTL) plants using carbon-based hydrogen production. Comput Chem Eng, 35(8):1399-1430, 2011.91 citations – nationwide energy supply chain network design to drive policy decisions! Hasan, Baliban, Elia, & Floudas. Modeling, simulation, and optimization of postcombustionCO2 capture for variable feed concentration and flow rate. Ind Eng Chem Res, 51(48):15665–15682, 2012. 59 citations Floudas, Niziolek, Onel, & Matthews. Multi-scale systems engineering for energy and the environment: Challenges and opportunities. AIChE J, 62(3):602–623, 2016. 15 citationsAnd many more …

Chris was a pioneer of applying optimization for energy and materials

Computational BiologyKhoury, Baliban, & Floudas. Proteome-wide post-translational modification statistics: frequency analysis and curation of the swiss-prot database. Sci Rep, 1:90, 2011.280 citations – automated, repeated curation of proteomic statistics database!

Young, DiMaggio, Plazas-Mayorca, Baliban, Floudas, & Garcia, High throughput characterization of combinatorial histone codes. Mol Cell Proteo, 8(10):2266-2284, 2009.211 citations – real-time analysis of mass spec signals to characterize histone codes! Klepeis & Floudas. ASTRO-FOLD: a combinatorial and global optimization framework for ab initio prediction of three-dimensional structures of proteins from the amino acid sequence. Biophys J, 85(4):2119–2146, 2003. 113 citationsHatzimanikatis, Floudas, & Bailey. Optimization of regulatory architectures in metabolic reaction networks. Biotech & Bioeng, 52(4):485–500, 1996. 87 citations And many more …

Chris was a pioneer of applying optimization for biology

K. SahinF. PenteadoP. MiaoD. GuT. JiaS. Huchette

Shankar VaidyaramanGregory MooreAndreas LehmannAnthony BurgardPriti PharkyaManish SarafAnshuman GuptaMadhukar DasikaHossein FazeliniaJonathan ChinVinay KumarFrancisco Vital-LopezSridhar RanganathanAlireza ZorommodiRobert PantazesRagib SahaAkhil KumarMatthew GrisewoodAnupam ChowdhuryAli KhodayariChiam NgMaggie SimonsThomas MuellerSarat GopalakrishnanFatul ChowdhuryMohammad IslamLin Wang

Aaron BorgZiran DaThomas ChavasDiego Alonso MartinezBen Foster

Anirudh SubramanyamNikolaos LappasChristopher HanselmanAkang Wang

Victoria AshleyAthanasios I. PapadopoulosDaniel Montolio-RodriguezMirko StijepovicSelma AttilhanKerron GabrielSabla AlnouriSumit Bishnu

Rohit Kumar SinglaKulijeet Singh

Harjot Kaur

Granville Paules IVAmy CiricAvanish AggarwalAntonis KokossisPolycarpos PsarrisMichael LuybenV. VisweswaranConor McDonaldCostas MaranasClaire AdjimanCarl SchweigerStephen HardingWilliam EspositoJohn KlepeisHeather SchafrothXiaoxia LinZeynep GumusClifford MeyerStacy JanakScott McAllisterHo Ki FungChrysanthos GounarisMeng Piao TanRohit RajgariaPeter DiMaggioPeter VerderameMeghan BellowsAshwin SubramaniRichard BalibanRuth MisenerJosephine EliaEric FirstJames SmadbeckGeorge KhouryYannis GuzmanAlex NiziolekOnur OnelLogan MatthewsMelis OnelBurcu BeykalJoseph CostandyCosar Doga DemirhanWilliam Tso

Stylianos MavromatisVictor Briones-VallejoVipul MehtaEftychia MarcoulakiPiyush ShahSameer MokashiAlberto Alva ArgaezLalita TantimurathaAlexandros StrouvalisZhighang ShangPatrick LinkeRamgopal UppaluriElaine GaoAlexandros KourakisRichard BarnesClaudia Labrador-DarderSiyu YangDu DuMarilena TsakalovaKaterina MountrakiCostas PyrgakisAntonis KorkofygasParaskevi KarkaGeorge LignosMelina PsychaMirela TsagkariGeorge Panayiotou

Barun K. NandiRanjan DasVijaya K. BulasaraSanjay K. ChattopadhyayMulari PujariAmrita AgarwalChina KanigantiB. ChandrasekharD. VasanthY. RameshE. Sriharsha

Georgia-Roumpini Iordanidou

Ioannis PapamichailHaitao HuangAileen CheungTimothy SheldonBernardino Pereira-LoMilica FolicApostolos GiovanoglouRodrigo Blanco-GuttierezEmmanuel KeskesAnastasia ApostolakouAlexandros LymperiadisMichaela PollockAlexander DunnettJavier Rodriguez-PerezNiall Mac DowellFrances PereiraJens SchreckenbergAndrei KazantsevHeiko StrubingVassileios PapaioannouCharles BrandManolis VasileiadisKhalil RhazaouiEirini SiougkrouZara GanaseAbidhakim HassanChristina-Anna GatsiouNikolaos KazazakisDimitris NerantzisAikaterini DiamantiRallia-Iliana VelliouPanatpong HutacharoenSuela JonuzajSmitha GorinathGeorgia LazarouEdward GrahamSiti Hajar Khalit

Carnegie Mellon, PhD, 1986Princeton University, 1986-2014Texas A&M University, 2015-2016

October 2016

Georgia KouyialisRadu Baltean-LugojanMiten Mistry

Sezen Vatansever

Yi Man

S. Marjan VarediJiyhang ParkYu ChenAlissa KernerJeremy MintyMichael NelsonSida WangTatyana SaleskiScott ScholzCorine Jackman

Academic Tree of Professor Christodoulos A. Floudas

1st Generation 2nd Generation3rd Generation 4th Generation

43

119

213

4 Generations of Floudas Academic Tree

• Number of Graduate Students: 186• Number of Academics: 20

Academic Impact in Numbers

20 post-doctoral associates 13 books, and monographs 32 book chaptersMore than 40 patentsMore than 335 journal articles

2014-2016

Final AppointmentsDirector, Texas A&M Energy InstituteErle Nye '59 Chair Professor for Engineering Excellence Artie McFerrin Department of Chemical EngineeringTexas A&M University Stephen C. Macaleer '63 Professor in Engineering and Applied Science, Emeritus Professor of Chemical and Biological Engineering, Emeritus Princeton University

Professor Christodoulos A. FloudasRecognitions and Honors National Academy of Inventors, 2015 Academy of Athens, Corresponding Member, 2015 P.V. Danckwerts Memorial Lecture, 2015 Thomson Reuters Highly Cited Researcher, 2015 (for 2003-2013) Constantin Caratheodory Prize, 2015 Thomson Reuters Highly Cited Researcher, 2014 (for 2002-2012) TIAS Fellow and Eminent Scholar, 2013-14 National Award and HELORS Gold Medal, 2013 AIChE Fellow, 2013 National Academy of Engineering, 2011 Graduate Mentoring Award, Princeton University, 2007 AIChE Computing in Chemical Engineering Award, 2006 AIChE Andreas Acrivos Award for Professional Progress in Chemical Engineering, 2001

h-indexGoogle Scholar 84Web of Science 62

Citations 12,324Journal Articles >335