PSAAP: Predictive Science Academic Alliance Program

Education and Lab Interaction Plan

Michael Ortiz

Mark Stalzer

PSAAP Kickoff Meeting

July 8-9, 2008

PSAAP: Predictive Science Academic Alliance Program

Education & Lab Interaction Plan: Background & Components

• We are sensitive to the NNSA Laboratories need to recruit the next generation of scientists trained in Predictive Science

• As part of the previous Caltech ASC center, 16 researchers have gone to government labs: 5 to LANL, 6 to LLNL, and 3 to SNL.

• Plan Components– Undergraduate Research– Graduate Student Extended Visits at NNSA Labs– Co-Mentorship of Graduate Students– Computational Science and Engineering Graduate Instruction– Participation in Summer Programs at NNSA Labs– Other Lab Interactions

PSAAP: Predictive Science Academic Alliance Program

Undergraduate Research

• Need to attract US undergraduates to the field of Predictive Science

• The Caltech PSAAP center will fund five fellowships per year (restricted to US Citizens) through Caltech’s Summer Undergraduate Research Fellowship (SURF)

• SURF is a 10 week summer program that introduces students to research under the guidance of senior researchers and faculty from Caltech and JPL

• During the 2006/2007 academic year the program involved 396 students and 189 mentors

• Students are given a stipend of $600/week• The program concludes with a technical paper and

presentation to the SURF Seminar Day

PSAAP: Predictive Science Academic Alliance Program

Graduate Student Extended Visits at NNSA Labs

• Many Caltech ASC/ASAP Center graduate students have visited the NNSA labs for extended periods

• Caltech’s PSAAP Center students will spend 10 weeks at one of the NNSA labs performing research under the supervision of a Caltech faculty member and a NNSA Laboratory scientist and, where possible, participating in summer schools

• This program will give the laboratories access to the students early on in their Ph.D. studies

• The program will extend and formalize past and present interactions that have taken place through Caltech’s ASC/ASAP Center

PSAAP: Predictive Science Academic Alliance Program

Graduate Student Extended Visits at NNSA Labs

                 

Marcial GonzalezGraduate Student in Aeronautics Mail Code 205-45Graduate Aeronautical LaboratoriesCalifornia Institute of TechnologyPasadena, CA 91125Phone: (626) 395-4502Email: magonzal@caltech.edu

                       

Gabriela N. VenturiniGraduate Student in Aeronautics Mail Code 205-45 Graduate Aeronautical LaboratoriesCalifornia Institute of TechnologyPasadena, CA 91125Phone: (626) 395-4502Email: venturin_at_caltech.edu

2008 graduate student summer interns at LLNL:

Host: Jaime Marian Host: Jaime Marian

PSAAP: Predictive Science Academic Alliance Program

Student Co-Mentorship Program

• Acquainting graduate students with NNSA labs and giving labs early access to top talent: program of co-mentorship of participating Ph.D. students by NNSA lab scientists– Participating students will be co-advised by Caltech faculty

and NNSA lab scientists from the beginning of the students’ Ph.D. program

– Lab scientists will also serve on the students’ thesis committee

– Students will be encouraged to spend time at the co-mentor’s lab during academic breaks and summer period

– Program will formalize and extend ongoing interactions

PSAAP: Predictive Science Academic Alliance Program

Ta polycrystal at strains of 0.52 and 1.00

Student Co-Mentorship Program

PSAAP: Predictive Science Academic Alliance Program

Minor in Computational Science and Engineering (CSE)

• Graduate students who are pursuing PhD degrees in any option will be able to pursue Computational Science and Engineering (CSE) as a subject minor

• The CSE minor is intended to supplement one of Caltech's graduate degrees and is designed for students who wish to broaden their knowledge of CSE

• The CSE minor is also intended to recognize graduate students interest and dedication to CSE

• Completion of the CSE minor program of study will be recognized on the Ph.D. diploma by the statement, “…and by additional studies constituting a minor in Computational Science and Engineering.”

PSAAP: Predictive Science Academic Alliance Program

Minor in Computational Science and Engineering (CSE)

ACM 106 abc. Introductory Methods of Computational Mathematics ACM/CS 114 ab. Parallel Algorithms for Scientific Applications ACM 210 ab. Numerical Methods for PDEs Ae/AM/CE/ME 214 abc. Computational Solid Mechanics Ae/ACM 232 abc. Computational Fluid Dynamics Ay 199. Methods of Computational Science Ch 121 ab. Atomic Level Simulations of Materials and Molecules. CS 38. Introduction to Algorithms CS 118. Logic Model Checking for Formal Software Verification CS/EE/Ma 129 abc. Information and Complexity CS 134 a. Computing Systems CS 136 abc. Programming Languages Laboratory CS 138 abc. Computer Algorithms CS 139 abc. Concurrency in Computation CS 150. Probability and Algorithms CS 151. Complexity Theory CS 175. Geometric Modeling Ph/CS 219 abc. Quantum Computation

• Students will complete 54 units from the approved list of courses (9 units/course):

PSAAP: Predictive Science Academic Alliance Program

Minor in Computational Science and Engineering (CSE)

• The CSE minor will be administered by an oversight committee consisting of three faculty reporting to the chair of the Engineering and Applied Science division

• Students will petition the CSE Oversight Committee for approval of their program of study

• Participating PSAAP Center students will be encouraged to pursue a CSE minor

• The CSE minor has been approved by the Engineering and Applied Science division chair

• Strong interest in other divisions• Pending final Institute approval for 2009

PSAAP: Predictive Science Academic Alliance Program

Summer Programs at NNSA Labs

• We will participate as instructors in Summer Schools at NNSA Labs

• Example: Computational Chemistry and Materials Science summer program at LLNL, whose goal is “to provide an opportunity for graduate students to explore and learn some of the cutting-edge methods in computational materials sciences, computational chemistry, and other related areas of computational science during their graduate study.”

• Example: Summer program at the LLNL Institute for Scientific Computing Research: “This program exposes students and faculty to the stimulating and challenging work environment of a national laboratory”

PSAAP: Predictive Science Academic Alliance Program

Summer Programs at NNSA Labs

Uncertainty Quantificationin Physics-Based

Simulations

Certification and quantification of margins and uncertainties (QMU). The confidence factor (CF). Rigorous computation of aleatoric and epistemic uncertainties. Quantitative verification and validation (V&V). Example applications.

Computational MechanicsNumerical methods for modeling the dynamic behavior of solids at

the continuum level. Solid modeling, discretization, adaptivity. Finite kinematics, conservation laws. Constitutive equations and updates. Coupled problems. Fracture and localization. Variational integrators.

Multiscale ModelingPhysical basis for multiscale modeling. Strength and spall models.

Rigorous multiscale modeling theory. Microstructural evolution. Examples of applications to density-functional theory, the atomistic-to-continuum transition, dislocation dynamics, martensitic phase transitions, polycrystals, and comminution.

Scientific SoftwareEngineering in Python

Concepts of software engineering including modularity, encapsulation, interfaces, configuration control, and reuse. Python based component frameworks. Science and engineering examples.

Proposed modules to be contributed by Caltech’s PSAAP Center to LLNL CCMS Summer School: