Molecular Simulation - Chem Eng I5800

Course outline (pdf file)

Textbook (pdf file)

short statistical mechanics review (19 page pdf file)
longer statistical mechanics review (99 page pdf)

Fortran reviews:
      f90
      other f90
      f95

Random number generators (ascii files):

      (a) RAN0.F "household strength"
      (b) RAN1.F "commercial strength"
      (c) RAN2.F "industrial strength"
      (d) correlation examples (pdf file)

Toy MC fortran program (ascii)

Problem Set 1: (1) Assignment (pdf file)
                         (2) Solution (pdf file)

Problem Set 2: (1) Assignment (pdf file)
                         (2) fortran code mc_nvt.f (ascii)
                         (3) input data file fort.10 (ascii)
                         (4) parameters file params.inc (ascii)
                         (5) solution (pdf file)

Problem Set 3: (1)
Assignment (pdf file)
                         (5) solution (tar archive)

Problem Set 4: (1)
Assignment (pdf file)
                         (2) fortran code mc_nvt.f (ascii)
                         (3) input data file fort.15 (ascii)
                         (4) parameters file params.inc (ascii)
                         (5) solution (pdf)

Problem Set 5: (1)
Assignment (pdf file)

Problem Set 6: (1) Assignment (pdf file)
                         (2) fortran code (ascii)

Problem Set 7: (1)
Assignment (pdf file)
                         (2) solution (pdf)

Problem Set 8: (1)
Assignment (pdf file)
                         (2) solution (fortran code)

Problem Set 9: (1)
Assignment (pdf file)
                         (2) problem 1 solution (fortran)
                         (3) problem 2 solution (pdf)

Problem Set 10: (1) Assignment (pdf file)
                         (2) solution (fortran code)