Martin Karplus is a highly influential figure in theoretical chemistry, known for his profound impact on scientific research. His innovative work in computational chemistry has transformed how scientists approach complex chemical and biological problems, opening new avenues for understanding molecular processes.
Early Life and Academic Path
Martin Karplus was born on March 15, 1930, in Vienna, Austria, and later became an American and Austrian theoretical chemist. He pursued his undergraduate studies at Harvard University, earning a bachelor’s degree in 1951. Karplus then continued his education at the California Institute of Technology, where he completed his doctorate in 1953. Following his doctoral work, he conducted postdoctoral research at Oxford, eventually returning to Harvard in 1966 to join the faculty as a professor of chemistry.
Pioneering Multiscale Modeling
Karplus’s most significant scientific contribution involves the development of multiscale models for complex chemical systems. This approach combines two distinct methods for simulating molecular behavior: classical mechanics and quantum mechanics. Classical mechanics, based on Newton’s laws, is efficient for describing many atoms but does not account for electron behavior, crucial for chemical reactions. Quantum mechanics accurately describes electron behavior but is computationally intensive and impractical for large systems.
Karplus, along with colleagues Michael Levitt and Arieh Warshel, devised a method that uses quantum mechanics for the most reactive parts of a molecule, such as the active site of an enzyme where chemical bonds are breaking and forming. For the larger, less reactive parts, they applied classical mechanics. This hybrid approach allowed the realistic simulation of complex chemical reactions involving large molecules, like proteins, by focusing computational power where it was most needed. An early application involved modeling the shape change of retinal, a large molecule in the eye, when exposed to light.
The Nobel Prize in Chemistry
In 2013, Martin Karplus, Michael Levitt, and Arieh Warshel were jointly awarded the Nobel Prize in Chemistry. The Royal Swedish Academy of Sciences recognized their work “for the development of multiscale models for complex chemical systems.” This award highlighted how their approach bridged the gap between theoretical calculations and practical understanding of chemical reactions, particularly in biological systems.
Lasting Influence on Scientific Research
The work of Martin Karplus has had a lasting influence across various scientific disciplines. The multiscale modeling methods he helped develop are now standard tools used globally by researchers. These computational techniques are used in fields such as drug discovery, where they facilitate the design of new pharmaceuticals by simulating how potential drugs interact with biological targets, and in materials science, where they aid in understanding and predicting the properties of new materials at an atomic level. Karplus’s contributions have also advanced the understanding of biological processes, allowing scientists to simulate complex enzyme reactions and protein dynamics. His work enables researchers to perform virtual experiments, complementing traditional laboratory work and providing insights into molecular behavior.