Ivan S Ufimtsev

Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics.

Ivan S Ufimtsev, Todd J Martinez, Ivan S. Ufimtsev, 2009, Journal of chemical theory and computation.

Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation.

Ivan S Ufimtsev, Todd J Martínez, Ivan S. Ufimtsev, 2008, Journal of chemical theory and computation.

Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation.

Ivan S Ufimtsev, Todd J Martinez, Ivan S. Ufimtsev, 2009, Journal of chemical theory and computation.

Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation.

Ivan S Ufimtsev, Todd J Martinez, Ivan S. Ufimtsev, 2009, Journal of chemical theory and computation.

Ab initio quantum chemistry for protein structures.

Heather J Kulik, Ivan S Ufimtsev, Todd J Martinez, 2012, The journal of physical chemistry. B.

Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions

Ivan S Ufimtsev, Todd J Martinez, Andrei Tokmakoff, 2009, Proceedings of the National Academy of Sciences.