TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics von Seritan, Stefan, Bannwarth, Christoph, Fales, Bryan S., Hohenstein, Edward G., Isborn, Christine M., Kokkila‐Schumacher, Sara I. L., Li, Xin, Liu, Fang, Luehr, Nathan, Snyder, James W., Song, Chenchen, Titov, Alexey V., Ufimtsev, Ivan S., Wang, Lee‐Ping, Martínez, Todd J.

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Approximation‐based implicit integration algorithm for the Simo‐Miehe model of finite‐strain inelasticity von Shutov, A.V., Ufimtsev, K.P.

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Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation von Ufimtsev, Ivan S, Martinez, Todd J

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Generating Efficient Quantum Chemistry Codes for Novel Architectures von Titov, Alexey V, Ufimtsev, Ivan S, Luehr, Nathan, Martinez, Todd J

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Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics von Ufimtsev, Ivan S, Martinez, Todd J

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Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation von Ufimtsev, Ivan S, Martínez, Todd J

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On efficiency of plasma gasification of wood residues von Rutberg, Ph.G., Bratsev, A.N., Kuznetsov, V.A., Popov, V.E., Ufimtsev, A.A., Shtengel’, S.V.

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GPU-accelerated molecular modeling coming of age von Stone, John E., Hardy, David J., Ufimtsev, Ivan S., Schulten, Klaus

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Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs) von Luehr, Nathan, Ufimtsev, Ivan S, Martínez, Todd J

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Cancelation and Shifts of Specular Reflections From Soft-Hard Triangular Cylinders von Ufimtsev, Pyotr Ya, Apaydin, Gokhan

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Graphical Processing Units for Quantum Chemistry von Ufimtsev, Ivan S., Martínez, Todd J.

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Charge Transfer and Polarization in Solvated Proteins from Ab Initio Molecular Dynamics von Ufimtsev, Ivan S, Luehr, Nathan, Martinez, Todd J

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Economic and Political Aspects of Egypt’s Accession to BRICS von Ufimtsev, Andrey A.

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Ab Initio Quantum Chemistry for Protein Structures von Kulik, Heather J, Luehr, Nathan, Ufimtsev, Ivan S, Martinez, Todd J

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Unsupervised determination of protein crystal structures von Ufimtsev, Ivan S., Levitt, Michael

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Transversely optically pumped Ar:He laser with a pulsed-periodic discharge von Mikheyev, P A, Chernyshov, A K, Svistun, M I, Ufimtsev, N I, Kartamysheva, O S, Heaven, M C, Azyazov, V N

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An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units von Hohenstein, Edward G, Luehr, Nathan, Ufimtsev, Ivan S, Martínez, Todd J

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TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units von Seritan, Stefan, Bannwarth, Christoph, Fales, B. Scott, Hohenstein, Edward G., Kokkila-Schumacher, Sara I. L., Luehr, Nathan, Snyder, James W., Song, Chenchen, Titov, Alexey V., Ufimtsev, Ivan S., Martínez, Todd J.

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Shadow radiation and Fresnel diffraction of acoustic waves von Ufimtsev, Pyotr Ya, Apaydin, Gokhan, Sevgi, Levent

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Excited-State Electronic Structure with Configuration Interaction Singles and Tamm–Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units von Isborn, Christine M, Luehr, Nathan, Ufimtsev, Ivan S, Martínez, Todd J

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