CSI: Cyber was developed by Anthony E. Zuiker, who spent time meeting with the CIA, FBI, and DOD as research for his 2009 CBS project Cyber Crimes, which was never picked up but likely inspired this spin-off.

The series is based on the work of Mary Aiken, a pioneering cyber psychologist, who is also attached as a series producer.

Peter MacNicol's character was originally announced as Assistant Director Stavros Sifter before being renamed Simon Sifter, and MacNicol departed the main cast after the first season.

Ted Danson joined the cast as D.B. Russell following the cancellation of the original CSI: Crime Scene Investigation series, bringing his character over into the Cyber spin-off.

Shad Moss (Bow Wow) announced his own casting as Brody 'Baby Face' Nelson via his Instagram account in August 2014.

Primary photography for the series took place at CBS Studio Center in Studio City, Los Angeles, with outdoor scenes shot around locations like Spring Street, Main Street, the Arroyo Seco, and the Colorado Street Bridge.

The show's theme song is 'I Can See for Miles' by The Who, while the score was composed by Jeff Russo and Ben Decter, with additional music from electronic producer Nick Chiari under the alias Grabbitz.

Producers set out to break the Guinness World Record for the largest-ever TV drama simulcast with the airing of the backdoor pilot episode 'Kitty', succeeding by broadcasting it in 171 countries, though the record was broken again just 15 days later by Game of Thrones' episode 'The House of Black and White'.