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Andreas W. Götz | doi.page

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Andreas W. Götz

San Diego Supercomputer Center(US)University of California San Diego(US)Michigan State University(US)

Publications by Year

Research Areas

Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Protein Structure and Dynamics, Photosynthetic Processes and Mechanisms, Crystallization and Solubility Studies

Most-Cited Works

→ Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald(2013)3,481 cited
→ Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born(2012)2,099 cited
→ AmberTools(2023)1,639 cited
→ SPFP: Speed without compromise—A mixed precision model for GPU accelerated molecular dynamics simulations(2012)1,112 cited
→ Trialkylsilyl Perfluoroalkanesulfonates: Highly Reactive Silylating Agents and Lewis Acids in Organic Synthesis(1982)230 cited
→ The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies(2013)198 cited

→ Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions.(2018)

186 cited

→ An extensible interface for QM/MM molecular dynamics simulations with AMBER(2013)185 cited

→ Electronic Absorption Spectra from MM and ab Initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein(2012)183 cited

→ A high performance grid-based algorithm for computing QTAIM properties(2009)182 cited