Donald Knuth is generally recognized as the Father of Computer Science: He has published numerous papers in both computer science and mathematics. (He also comments that switching back and forth between the two fields requires a distinct mental changing of gears.)

He founded modern computational complexity theory, including introducing the now-familiar "big-O" notation for asymtotic efficiency of an algorithm.

He developed LR parsing theory which (once the additional
refinements leading to LALR parsing were developed) lead to
the parser generators such as `yacc`

which power almost
all modern compilers.

He is perhaps best known in the programming fraternity for
his eternally unfinished Art Of Computer Programming series
summarizing and analysing the important algorithms for
sequential computers: After completing three of a projected
five volumes, he became dissatisfied with the typesetting
technology he had to use, and stopped to write a little
formatter that grew into the TeX typesetting program plus
the Metafont font generation program plus a series of five
books on them. More recently, he has also detoured to write
a program (and book) on generation of graphs and datasets.
It has now (1994) been twenty-six years since the first part
of Volume One appeared, and twenty-one years since Volume
Three first appeared, but I see the publishers are listing
Volume Four as "forthcoming", so I'm sure we can expect
prompt completion of the work ... *grin*.

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