International Journal of Quantum Chemistry· 2013Q3

Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

Arteum D. Bochevarov, Edward Harder, Thomas F. Hughes, Jeremy R. Greenwood et al.

1,801citations
Q3SCImago
2013year

Short summary

Jaguar is an ab initio quantum chemistry program optimized for fast electronic structure predictions in medium to large molecular systems, enabling routine computations with thousands of molecular orbitals via pseudospectral approximation and parallelization.

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Field: Computational Theory and Mathematics

Computational Theory and MathematicsComputer Science