Andreas W. Götz

12.3k citations

83 papers · 7.8k indexed · 3 hit papers · h-index 32

Impact in

Molecular Biology top 1%
- Protein Structure and Dynamics
- RNA and protein synthesis mechanisms
- DNA and Nucleic Acid Chemistry
Atomic and Molecular Physics, and Optics top 1%
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies

Papers in

Atomic and Molecular Physics, and Optics 47
- Spectroscopy and Quantum Chemical Studies 33
- Advanced Chemical Physics Studies 27
- Quantum, superfluid, helium dynamics 4
Physical and Theoretical Chemistry 10

Co-authors: Ross C. Walker Duncan Poole Romelia Salomón–Ferrer Mark J. Williamson Dong Xu Francesco Paesani Matthew Clark Lucas Visscher
Journals: Journal of Chemical Theory and Computation (14 papers)The Journal of Chemical Physics (8 papers)Journal of Computational Chemistry (7 papers)Inorganic Chemistry (5 papers)Physical Chemistry Chemical Physics (4 papers)
Partner nations: United States Germany Netherlands

In The Last Decade

Andreas W. Götz

83 papers receiving 7.7k citations

Hit Papers

align trajectories log scale

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald 2013 · 2.6k citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

2013 Journal of Chemical Theory and Computation
2012 Computer Physics Communications
2012 Journal of Chemical Theory and Computation

Peers

Countries citing papers authored by Andreas W. Götz

Since Specialization

Citations

This map shows the geographic impact of Andreas W. Götz's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Andreas W. Götz with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Andreas W. Götz more than expected).

Fields of papers citing papers by Andreas W. Götz

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Andreas W. Götz. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Andreas W. Götz. The network helps show where Andreas W. Götz may publish in the future.

Co-authors

The 25 scholars most cited alongside Andreas W. Götz, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Andreas W. Götz Line = papers co-authored together Andreas W. Götz links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	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 ·Yujun Tao, Timothy J. Giese, Şölen Ekesan, Jinzhe Zeng, Bálint Aradi, B. Hourahine, Hasan Metin Aktulga, Andreas W. Götz, Kenneth M. Merz, Darrin M. York	2024	10
2	Modeling Electrodynamic Interactions in Brownian Dynamics Simulations IEEE Journal of Electromagnetics RF and Microwaves in Medicine and Biology ·Kyle A. Thackston, Mara Casebeer, Dimitri D. Deheyn, Andreas W. Götz, Daniel F. Sievenpiper	2023	2
3	Reaction pathways, proton transfer, and proton pumping in ba3 class cytochrome c oxidase: perspectives from DFT quantum chemistry and molecular dynamics Frontiers in Chemistry ·Louis Noodleman, Andreas W. Götz, Wen‐Ge Han, Laura M. Hunsicker‐Wang	2023	3
4	Uptake of N2O5 by aqueous aerosol unveiled using chemically accurate many-body potentials Nature Communications ·Vinícius Wilian D. Cruzeiro, Mirza Galib, David T. Limmer, Andreas W. Götz	2022	20
5	Computer-aided drug design, quantum-mechanical methods for biological problems Current Opinion in Structural Biology ·Madushanka Manathunga, Andreas W. Götz, Kenneth M. Merz	2022	29
6	Data for molecular dynamics simulations of Escherichia coli cytochrome bd oxidase with the Amber force field SHILAP Revista de lepidopterología ·Surl-Hee Ahn, Christian Seitz, Vinícius Wilian D. Cruzeiro, J. Andrew McCammon, Andreas W. Götz	2021	4
7	Highly Accurate Many-Body Potentials for Simulations of N ₂ O ₅ in Water: Benchmarks, Development, and Validation Journal of Chemical Theory and Computation ·Vinícius Wilian D. Cruzeiro, Eleftherios Lambros, Marc Riera, Ronak Roy, Francesco Paesani, Andreas W. Götz	2021	18
8	Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations Journal of Chemical Theory and Computation ·Paul Clabaut, Benjamin Schweitzer, Andreas W. Götz, Carine Michel, Stephan N. Steinmann	2020	42
9	N₂O₅at water surfaces: binding forces, charge separation, energy accommodation and atmospheric implications Physical Chemistry Chemical Physics ·Barak Hirshberg, Estefanía Rossich Molina, Andreas W. Götz, Audrey Dell Hammerich, Gilbert M. Nathanson, Timothy H. Bertram, Mark A. Johnson, R. Benny Gerber	2018	24
10	Force Field for Water over Pt(111): Development, Assessment, and Comparison Journal of Chemical Theory and Computation ·Stephan N. Steinmann, Rodrigo Ferreira de Morais, Andreas W. Götz, Paul Fleurat‐Lessard, Marcella Iannuzzi, Philippe Sautet, Carine Michel	2018	42
11	Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions. Apollo (University of Cambridge) ·Thuong Nguyen, Eszter Székely, Giulio Imbalzano, Jörg Behler, Gábor Cśanyi, Michele Ceriotti, Andreas W. Götz, Francesco Paesani	2018	147
12	Effects of Dispersion Forces on Structure and Photoinduced Charge Separation in Organic Photovoltaics The Journal of Physical Chemistry C ·Juan Pablo Martínez, Daniel E. Trujillo‐González, Andreas W. Götz, Fray L. Castillo‐Alvarado, Juan I. Rodríguez	2017	13
13	Toward Chemical Accuracy in the Description of Ion–Water Interactions through Many-Body Representations. I. Halide–Water Dimer Potential Energy Surfaces Journal of Chemical Theory and Computation ·Pushp Bajaj, Andreas W. Götz, Francesco Paesani	2016	96
14	Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties Journal of Computational Chemistry ·James S. M. Anderson, Juan I. Rodríguez, Paul W. Ayers, Andreas W. Götz	2016	13
15	Calculation of nuclear spin-spin coupling constants using frozen density embedding The Journal of Chemical Physics ·Andreas W. Götz, Jochen Autschbach, Lucas Visscher	2014	12
16	Metabolic Responses of Primary and Transformed Cells to Intracellular Listeria monocytogenes PLoS ONE ·Nadine Gillmaier, Andreas W. Götz, Anette Schulz, Wolfgang Eisenreich, Werner Goebel	2012	37
17	X‐ray Absorption Spectroscopic, Crystallographic, Theoretical (DFT) and Chemical Evidence for a Chalcogen–Chalcogen Two‐Center/Three‐Electron Half Bond in an Unprecedented “Subselenide” Se₂³⁻ Ligand Chemistry - A European Journal ·Shu A. Yao, Kyle M. Lancaster, Andreas W. Götz, Serena DeBeer, John F. Berry	2012	14
18	PyADF — A scripting framework for multiscale quantum chemistry Journal of Computational Chemistry ·Christoph R. Jacob, Selami Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, Lucas Visscher	2011	69
19	Enterobacterial tumor colonization in mice depends on bacterial metabolism and macrophages but is independent of chemotaxis and motility International Journal of Medical Microbiology ·Jochen Stritzker, Stephanie Weibel, Carolin Seubert, Andreas W. Götz, Achim Tresch, Nico van Rooijen, Tobias A. Oelschlaeger, Philip J. Hill, Ivaylo Gentschev, Aladar A. Szalay	2010	60
20	Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO–DFT Journal of Computational Chemistry ·Andreas W. Götz, Christian Kollmar, Bernd A. Heß	2005	2

About Andreas W. Götz

Andreas W. Götz is a scholar working on Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry, Inorganic Chemistry, Spectroscopy and Biophysics, having authored 83 papers that have together received 7.8k indexed citations. Recurring topics across this work include Spectroscopy and Quantum Chemical Studies (33 papers), Advanced Chemical Physics Studies (27 papers), Photosynthetic Processes and Mechanisms (14 papers), Protein Structure and Dynamics (11 papers), Machine Learning in Materials Science (9 papers), Photoreceptor and optogenetics research (8 papers), Advanced NMR Techniques and Applications (7 papers) and Quantum, superfluid, helium dynamics (4 papers). The work is most often cited by research in Molecular Biology (4.3k citations), Atomic and Molecular Physics, and Optics (1.6k citations), Computational Theory and Mathematics (779 citations), Physical and Theoretical Chemistry (422 citations) and Spectroscopy (753 citations). Andreas W. Götz has collaborated with scholars based in United States, Germany and Netherlands. Frequent co-authors include Ross C. Walker, Duncan Poole, Romelia Salomón–Ferrer, Mark J. Williamson, Dong Xu, Francesco Paesani, Matthew Clark, Lucas Visscher, Selami Beyhan and Juan I. Rodríguez. Their work appears in journals such as Journal of Chemical Theory and Computation, The Journal of Chemical Physics, Journal of Computational Chemistry, Inorganic Chemistry and Physical Chemistry Chemical Physics.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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