Dallas R. Trinkle
Research Group
Dallas R. Trinkle
Ivan Racheff Professor and Associate Head of Materials Science and Engineering; Willett Faculty Scholar
Office:
308 Materials Science and Engineering Building
Mail Address:
Department of Materials Science and Engineering
1304 W. Green St.
Urbana, IL 61801
Telephone: 217-244-6519
Fax: 217-333-2736
E-mail: dtrinkle@illinois.edu
Bio-sketch: MatSE faculty profile, curriculum vitae
https://orcid.org/0000-0002-6472-9840
Ivan Racheff Professor and Associate Head of Materials Science and Engineering; Willett Faculty Scholar
Office:
308 Materials Science and Engineering Building
Mail Address:
Department of Materials Science and Engineering
1304 W. Green St.
Urbana, IL 61801
Telephone: 217-244-6519
Fax: 217-333-2736
E-mail: dtrinkle@illinois.edu
Bio-sketch: MatSE faculty profile, curriculum vitae
https://orcid.org/0000-0002-6472-9840
Computational Materials Science
- Transition state theory tools for VASP: dimer, nudged elastic band and dynamical matrix method
- ABINIT (PWPP DFT, GNU general public license)
- Quantum Espresso (PWPP DFT, GNU general public license)
- GPAW (Grid-based Projector-Augmented Wave method, GNU general public license)
- Wien2k's Homepage (FLAPW DFT, licensed)
- Yambo (many-body, GNU general public license)
- LAMMPS: molecular dynamics, including the online manual
- STATIC: a Scalable Tight-Binding Total Energy Evaluation Code
- Not just for chemists: “Guidelines for Presentation of Methodological Choices in the Publication of Computational Results. A. Ab Initio Electronic Structure Calculations.” Pure Appl. Chem. 70(4), 1015-1018 (1998) pdf
- Scientific Computation notes at UIUC
Materials Science & Condensed Matter Theory
Electronic Journals and References
- Condensed Matter Preprint Archive (cond-mat), Materials Science recent (cond-mat.mtrl-sci)
Computing
- LaPack at NetLib.org
- GNU Scientific Library (GSL) including the online manual
- Dokuwiki syntax
- Training courses: NCSA WebCT
- LaTeX guide
Web Formatting
Organizations
- Dept. of Defense (DOD): Air Force Office of Scientific Research (AFOSR), Office of Naval Research (ONR), Army Research Office (ARO)
- Dept. of Energy (DOE): Basic Energy Sciences (BES), Advanced Scientific Computing Research (ASCR)
- National Science Foundation (NSF): Directorate for Engineering (ENG), Division of Materials Research (DMR)
Outside departments and Research groups
Miscellaneous
- Writing and Speaking about science
- Clarity in Technical Reporting (NASA): pdf ; The Scholarly Lecture
- Periodic table of visualization methods
- Guide to proper font selection
- The Professor's Ten Commandments, Thanks to Notorious B.I.G.