Computational Materials Doctoral Minor

The Computational Materials provides a fundamental graduate education in materials simulation techniques. The minor is available to all doctoral students, regardless of which PhD major they are pursuing, who are conducting research that utilizes computational materials approaches, or who could otherwise benefit from an understanding of the methods used to probe material properties computationally.

The minor requires 5 courses, 3 core methods courses and 2 additional electives that broaden their exposure to material phenomena. The objectives of the coursework are to 1) provide foundational courses in materials modeling, offered at various length scales, 2) integrate both broad foundational courses for students interested in a wide range of modeling techniques and/or specialized courses allowing students to develop depth in a specific modeling technique/scale, and 3) provide a flexible set of electives that will assure students are exposed to materials-related phenomena in their area of expertise. The minor provides students the recognition of having built a background in Computational Materials, as well as the access and oversight of faculty in the minor to help them integrate these concepts with their doctoral research. All Ph.D. students in the minor will be required to have a faculty member from the minor on their thesis committee.

Official requests to add a minor to a doctoral candidate's academic record must be submitted to Graduate Enrollment Services prior to establishing the doctoral committee and prior to scheduling the comprehensive examination.
Learn more at http://bulletins.psu.edu/bulletins/whitebook/minors.cfm

Minor Course Requirements:

The minor requires 15 credits, 9 of which are to be chosen from the list below of “foundational courses” and 6 of which are chosen from a list of options.  All 15 of these credits must be passed with a grade of B or higher. At least 12 of the 15 credits must be at the 500 level.

Courses required - Foundational methods courses (9 credits):
Students may choose any 9 credits (3 courses) from the list of:
CHEM 565 (3) Quantum Chemistry I 
CHEM 566 (3) Quantum Chemistry II
PHYS 561 (3) Quantum Mechanics I
PHYS 512 (3) Quantum Theory of Solids I
MATSE 419 (3) Computational Materials Science and Engineering
MATSE 544 (3) Computational Materials Science of Soft Materials
MATSE 580 (3) Computational Thermodynamics
MATSE 581 (3) Computational Materials Science II: Continuum, Mesocale Simulations
These 9 credits are the core of the minor, which provides fundamental training in modeling theory and skills aimed at students doing materials modeling in their research.  Substitutions for these core courses will be considered on a case by case basis, and must be courses that concentration on methods used to model material systems and properties.

Elective courses (6 credits):
Two additional elective courses that 1) provide depth in materials-related phenomena at the quantum, atomistic, or mesoscale or 2) build student’s computational skills may be chosen to fit the program and research of the student. The list of courses below are included as initially approved electives for the minor.  Students may also choose to complete additional courses listed in the “core” list as electives, beyond the required 9 core credits.
Chemical Engineering
CH E 510 (3) Surface Characterization of Materials
CH E 524 (3) Chemical Engineering, Application of Thermodynamics
CH E 528 (3) Colloidal Forces and Thermodynamics
CH E 535 (3) Chemical Reaction Engineering
CH E 536 (3) Heterogeneous Catalysis

Chemistry
CHEM 464 (3) Chemical Kinetics and Dynamics
CHEM 511 (3) Chemical Nanoscience
CHEM 516 (3) Inorganic Chemistry
CHEM 517 (3) Organometallic Chemistry
CHEM 518 (3) Symmetry and Spectroscopy in Inorganic Chemistry
CHEM 519 (3) Materials Chemistry
CHEM 526 (3) Spectroscopic Analysis
CHEM 535 (3) Physical Organic Chemistry
CHEM 539 (3) Biochemical Reaction Mechanisms
CHEM 540 (3) Biophysical Chemistry
CHEM 545 (3) Statistical Thermodynamics
CHEM 572 (3) Nucleic Acids Chemistry
CHEM 573 (3) NMR Spectroscopy for Synthetic and Biological Chemistry

Materials Science and Engineering
MATSE 501 (3) Thermodynamics of Materials
MATSE 503 (3) Kinetics of Materials Processes
MATSE 505 (3) Irreversible and Statistical Thermodynamics of Materials
MATSE 506 (3) Interfacial Electrochemical Processes
MATSE 510 (CH E 510) (3) Surface Characterization of Materials
MATSE 511B (GEOSC 511B) (1) Transmission Electron Microscopy
MATSE 512 (GEOSC 512) (3) Principles of Crystal Chemistry
MATSE 514 (3) Characterization of Materials
MATSE 530 (3) X-Ray Crystallography and Diffraction
MATSE 531 (3) Transmission Electron Microscopy
MATSE 535 (3) Geometrical Crystallography
MATSE 540 (3) Crystal Anisotropy
MATSE 543 (CHEM 543) (3) Polymer Chemistry
MATSE 545 (E E 545) (3) Semiconductor Characterization
MATSE 555 (PHYS 555) (3) Polymer Physics I
MATSE 565 (3) Metals in Electronics
MATSE 570 (EME 570) (3) Catalytic Materials

Mechanical Engineering
M E 504 (3) Advanced Engineering Thermodynamics
M E 523 (3) Numerical Solutions Applied to Heat Transfer and Fluid Mechanics Problems
M E 530 (3) Fundamentals of Combustion
M E 535 (AERSP 535) (3) Physics of Gases
M E 578 (MATH 578) (3) Theory and Applications of Wavelets

Physics
PHYS 510 (3) General Relativity I
PHYS 513 (3) Quantum Theory of Solids II
PHYS 517 (3) Statistical Mechanics
PHYS 518 (3) Critical Phenomena and Field Theory
PHYS 524 (3) Physics of Semiconductors and Devices
PHYS 525 (3) Methods of Theoretical Physics
PHYS 526 (3) Methods of Theoretical Physics II
PHYS 527 (3) Computational Physics and Astrophysics
PHYS 530 (3) Theoretical Mechanics
PHYS 557 (3) Electrodynamics
PHYS 562 (3) Quantum Mechanics II
PHYS 563 (3) Quantum Field Theory I
PHYS 571 (3) Modern Atomic Physics

Computational science courses offered across numerous departments:
ABE 513 (3) Applied Finite Element, Boundary Element, and Finite Difference Methods
ABE 562 / EMCH 562 (3) Boundary element analysis
AERSP 424 (3) Advanced Computer Programming
AERSP 440 (3) Introduction to Software Engineering
AERSP 560 (3) Finite Element Methods
CE 563 (3) Systems Optimization Using Evolutionary Algorithms
CMPSC 450 (3) Concurrent Scientific Computing
CSE 514 (3) Computer Networks
CSE 530 (3) Foundations in Computer Architecture
CSE 531 (3) Parallel processors and processing
CSE 532 (3) Multiprocessor architecture
CSE 543 (3) Interconnection networks in highly parallel computers
CSE / Math 550 (3) Numerical Linear Algebra
CSE / MATH 551 (3) Numerical solution of ordinary differential equations
CSE / MATH 552 (3) Numerical solution of partial differential equations
CSE / MATH 555 (3) Numerical optimization techniques
CSE / MATH 556 (3) Finite element methods
CSE 557 (3) Concurrent Matrix Computation
EGEE 520 (3) Mathematical Modeling in Energy and Geo-Environmental Engineering Systems
E SC 483 (3) Simulation and Design of Nanostructures
EMCH 560 Finite Element Analysis MATH 523 (3) Numerical Analysis I
MATH 524 (3) Numerical Linear Algebra
MATH / CSE 550 (3) Numerical linear algebra
MATH / CSE 551 (3) Numerical solution of ordinary differential equations
MATH / CSE 552 (3) Numerical solution of partial differential equations
MATH / CSE 555 (3) Numerical optimization techniques
MATH / CSE 556 (3) Finite element methods
MATH 580 (3) Applied Math I
NucE 521 (3) Neutron Transport Theory
NucE 525 (3) Monte Carlo Methods
NucE 530 (3) Parallel/Vector Algorithms for Scientific Applications
Stat 500 (3) Applied Statistics
Stat 501 (3) Regression Methods
Stat 502 (3) Analysis of Variance and Design of Experiments

Minor faculty on graduate committee:
Ph.D. students completing the Computational Materials minor must include a faculty member to represent the minor on their thesis committee.  The following is the current list of faculty approved to represent the minor on thesis committees:
Kristen Fichthorn, Chemical Engineering and Physics
Michael Janik, Chemical Engineering
Scott Milner, Chemical Engineering
Adri van Duin, Mechanical Engineering and Chemical Engineering
Lasse Jensen, Chemistry
Gerald Knizia, Chemistry
Jorge Sofo, Physics
Vincent Crespi, Physics
Susan Sinnott, Materials Science and Engineering
Zi-Kui Liu, Materials Science and Engineering
Ismaila Dabo, Materials Science and Engineering
Long-Qing Chen, Materials Science and Engineering