How changes in computer technology are revolutionizing the practice of chemistry

Area of Science:

• Computational Chemistry
• Experimental Chemistry
• Scientific Computing

Background:

• The early 1980s saw significant computer technology developments impacting chemistry.
• Microprocessors and personal computers (PCs) transformed experimental chemistry.
• Superminicomputers and supercomputers advanced computational chemistry.

Purpose of the Study:

• To highlight the impact of emerging computer technologies on chemical research.
• To discuss the promise of graphics supercomputers for both theoreticians and experimentalists.
• To explore the evolution of laboratory computer networks and new software methods.

Main Methods:

• Integration of fast, high-resolution graphics with superminicomputer power in workstations.
• Development of graphics supercomputers combining near-Cray compute power with ultrahigh-speed 3D graphics.
• Implementation of hierarchical laboratory computer networks and advanced software for data analysis.

Main Results:

• Graphics supercomputers offer unparalleled visualization of molecular processes.
• Laboratory networks facilitate hierarchical integration of various computing levels.
• New software enhances information extraction from complex experimental data.

Conclusions:

• Parallelism in workstations will surpass current supercomputer mainframes by the early 1990s.
• Chemist's desktops will feature immense computing power and advanced visualization tools.
• These technological advancements promise to revolutionize chemical research and discovery.