The need to uplift the quality of science and technology education in the country and support the country's demand for scientists, technical researchers, technologists, engineers, and policy leaders paved the way for the creation of the Philippine Science High School. Then President Diosdado Macapagal signed into law Republic Act 3661, also known as the PSHS Charter on June 22, 1963. When the PSHS started out, it rented a building owned by the Philippine Government Employees' Association on a one -hectare site along the Elliptical Road in Quezon City. On August 1, 1970, the school moved to its present campus – using prefabricated buildings – on a 7 .5 hectare site in the North Triangle in Diliman, Quezon City. On July 1 , 1972, the school occupied its permanent buildings. The facilities then consisted of a main edifice called the Sciences & Humanities Building (SHB) and two dormitories.
On March 1989, additional facilities were set up at the rooftop of the SHB. A new IPS laboratory, a computer -integrated electronics laboratory, and a new auditorium were built. The fourth floor facilities also had a view deck. In 1982, Dr. Cleofe M. Bacufrgan started to envision a technology laboratory. The plans grew to larger proportions as it became apparent that the additional subjects in the PSHS curriculum needed science and technology laboratory facilities. A groundbreaking ceremony for a new building was held on September 1995. On September 9, 1996, the Advanced Science and Technology Building (ASTB) was inaugurated and blessed.