Andreas W. Götz

San Diego Supercomputer Center — United States

Physics and Astronomy · Physical Sciences

37h-index12.2kcitations131works8.72yr avg
OpenAlex↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Spectroscopy and Quantum Chemical Studies(37), Advanced Chemical Physics Studies(32), Photosynthetic Processes and Mechanisms(14), Crystallization and Solubility Studies(13), X-ray Diffraction in Crystallography(13)

Publications131 total

Methods for characterization of nanofiber nonwovens for biomedical applications – overview and future demands
Current Directions in Biomedical Engineering·2025Open Access
Aliphatic Polyester Recognition and Reactivity at the Active Cleft of a Fungal Cutinase
Journal of Chemical Information and Modeling·2025· 1 citedOpen Access
Degradation und mechanical behavior of nanofiber membranes for timed release of antibacterial additives
Current Directions in Biomedical Engineering·2024Open Access
Initial biological evaluation of nanofiber and microwire biomaterials
Current Directions in Biomedical Engineering·2024Open Access
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
The Journal of Chemical Physics·2024· 14 cited
Molecular Insights into Chemical Reactions at Aqueous Aerosol Interfaces
Annual Review of Physical Chemistry·2024· 37 citedOpen Access
Reaction pathways, proton transfer, and proton pumping in ba3 class cytochrome c oxidase: perspectives from DFT quantum chemistry and molecular dynamics
Frontiers in Chemistry·2023· 4 citedOpen Access
Geometry Optimization: A Comparison of Different Open-Source Geometry Optimizers
Journal of Chemical Theory and Computation·2023· 14 cited
AmberTools
Journal of Chemical Information and Modeling·2023· 1.6k citedOpen Access
Molecular Insights into Chemical Reactions at Aqueous Aerosol Interfaces
arXiv (Cornell University)·2023· 3 citedOpen Access
Cover Feature: Effects of Microhydration on the Mechanisms of Hydrolysis and Cl<sup>−</sup> Substitution in Reactions of N<sub>2</sub>O<sub>5</sub> and Seawater (ChemPhysChem 5/2023)
ChemPhysChem·2023Open Access
Modeling Electrodynamic Interactions in Brownian Dynamics Simulations
IEEE Journal of Electromagnetics RF and Microwaves in Medicine and Biology·2023· 2 cited
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units
Journal of Chemical Information and Modeling·2023· 47 cited
Effects of Microhydration on the Mechanisms of Hydrolysis and Cl<sup>−</sup> Substitution in Reactions of N<sub>2</sub>O<sub>5</sub> and Seawater
ChemPhysChem·2022· 4 cited
Fiber orientation on 3D structured collectors for electrospinning
Current Directions in Biomedical Engineering·2022· 2 citedOpen Access
Computer-aided drug design, quantum-mechanical methods for biological problems
Current Opinion in Structural Biology·2022· 45 cited
Uptake of N2O5 by aqueous aerosol unveiled using chemically accurate many-body potentials
Nature Communications·2022· 34 citedOpen Access
DFT Calculations for Mössbauer Properties on Dinuclear Center Models of the Resting Oxidized Cytochrome <i>c</i> Oxidase
ChemPhysChem·2022· 2 citedOpen Access
Data for molecular dynamics simulations of Escherichia coli cytochrome bd oxidase with the Amber force field
Data in Brief·2021· 7 citedOpen Access
MB-Fit: Software infrastructure for data-driven many-body potential energy functions
The Journal of Chemical Physics·2021· 34 citedOpen Access
page 1 of 7Next →

Frequent Co-authors

Ross C. Walker(11), Francesco Paesani(9), Madushanka Manathunga(8), Kenneth M. Merz(8), Vinícius Wilian D. Cruzeiro(6), Hasan Metin Aktulga(5), Marc Riera(5), Juan I. Rodríguez(4), Lucas Visscher(4), Scott Le Grand(3), Mehmet Cagri Kaymak(3), Ali Rahnamoun(3), Paul W. Ayers(3), Carine Michel(3), Selami Beyhan(3), Werner Goebel(3), Duncan Poole(2), David A. Case(2), Kellon Belfon(2), David S. Cerutti(2)