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It was there that= he developed a deep fascination with the concept of the chemical bond.= =E2=80=9CIt=E2=80=99s unquestionably the mo= st important thing in chemistry,=E2=80=9D Dr. He soon realized that the mathematics required to calcula= te the energy of a chemical bond were too complex and unwieldy for practica= l use, even with the help of computers.

He learned of a potential solution = =E2=80=93 density functional theory =E2=80=93 developed in the 1960s by Wal= ter Kohn, who later shared the Nobel Prize with Dr. At the time, the= theory had only been worked out for metals. Becke set about finding a way to make it applicable to a larger range= of chemical situations.

For Axel Becke, a professor of chemistry at= Dalhousie University, the turning point that would vault his career into t= he scientific stratosphere did not come in a campus laboratory but during a= three-hour lunch on the French Riviera. Becke was sitting across the table from John Pople, a = U. A year later, he and his team at Carnegie-Mellon University incorpor= ated Dr.

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