Stephan N Steinmann (Stephan Steinmann)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 31

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

CNRS Délégation Rhône-Auvergne

This page only lists publications with an associated author ORCID identifier.

Affiliation History

CNRS Délégation Rhône-Auvergne Oct 01 2016

France

Chargé de Recherche

École normale supérieure de Lyon Nov 01 2013 - Sep 30 2016

France

post-Doc

Duke University Nov 01 2012 - Sep 30 2013

United States

post-Doc :: Chemistry

École Polytechnique Fédérale de Lausanne Nov 15 2009 - Oct 15 2012

Switzerland

PhD Student :: Chemistry

Publications

Sangeeta Adhikari, Stephan N Steinmann, Maheswari Arunachalam, Soon Hyung Kang, Do-Heyoung Kim
Unraveling the Oxidation Kinetics Through Electronic Structure Regulation of MnCo 2 O 4.5 @Ni 3 S 2 p-n Junction for Urea-Assisted Electrocatalytic Activity. Small (Weinheim an der Bergstrasse, Germany) (2024)
Alain Manceau, Romain Brossier, Olivier Mathon, Kirill A Lomachenko, Marius Retegan, Pieter Glatzel, Stephan N Steinmann
DFT2FEFFIT : a density-functional-theory-based structural toolkit to analyze EXAFS spectra. Journal of applied crystallography 57 (Pt 4) (2024)
Alain Manceau, Romain Brossier, Olivier Mathon, Kirill A Lomachenko, Marius Retegan, Pieter Glatzel, Stephan N Steinmann
DFT2FEFFIT : a density-functional-theory-based structural toolkit to analyze EXAFS spectra. Journal of applied crystallography 57 (Pt 4) (2024)
Muhammad Akif Ramzan, Raphaël Wischert, Stephan N Steinmann, Carine Michel
Toward a Realistic Surface State of Ru in Aqueous and Gaseous Environments. The journal of physical chemistry letters 14 (18) (2023)
Raphaël Rullan, Pauline Colinet, Quentin Desdion, Stephan N Steinmann, Tangui Le Bahers
Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite. Journal of computational chemistry (2023)
Stephan N Steinmann, Qing Wang, Zhi Wei Seh
How machine learning can accelerate electrocatalysis discovery and optimization. Materials horizons 10 (2) (2023)
Muhammad Akif Ramzan, Raphaël Wischert, Stephan N Steinmann, Carine Michel
Toward a Realistic Surface State of Ru in Aqueous and Gaseous Environments. The journal of physical chemistry letters (2023)
Nawras Abidi, Stephan N Steinmann
An Electrostatically Embedded QM/MM Scheme for Electrified Interfaces. ACS applied materials & interfaces (2023)
Raphaël Rullan, Pauline Colinet, Quentin Desdion, Stephan N Steinmann, Tangui Le Bahers
Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite. Journal of computational chemistry 45 (12) (2023)
Renate Schwiedernoch, Xiaofeng Niu, Haosheng Shu, Stephan N Steinmann, Mengjia Wu, Negar Naghavi
One-Step Electrocatalytic Approach Applied to the Synthesis of β-Propiolactones from CO 2 and Dienes. The Journal of organic chemistry (2023)
Rika Tandiana, Cécile Sicard-Roselli, Nguyen-Thi Van-Oanh, Stephan N Steinmann, Carine Clavaguéra
In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle. Physical chemistry chemical physics : PCCP 24 (41) (2022)
Stephan N Steinmann, Qing Wang, Zhi Wei Seh
How machine learning can accelerate electrocatalysis discovery and optimization. Materials horizons (2022)
Ziyang Wei, Florian Göltl, Stephan N Steinmann, Philippe Sautet
Modeling Electrochemical Processes with Grand Canonical Treatment of Many-Body Perturbation Theory. The journal of physical chemistry letters 13 (26) (2022)
Stephan N Steinmann, Qing Wang, Zhi Wei Seh
How machine learning can accelerate electrocatalysis discovery and optimization. Materials horizons (2022)
Jérôme Rey, Sarah Blanck, Paul Clabaut, Sophie Loehlé, Stephan N Steinmann, Carine Michel
Transferable Gaussian Attractive Potentials for Organic/Oxide Interfaces. The journal of physical chemistry. B 125 (38) (2021)
Matthew R Elsby, Scott Y H Kim, Stephan N Steinmann, R Tom Baker
Same ligand, three first-row metals: comparing M-amido bifunctional reactivity (Mn, Fe, Co). Dalton transactions (Cambridge, England : 2003) 50 (41) (2021)
Carles Martí, Sarah Blanck, Ruben Staub, Sophie Loehlé, Carine Michel, Stephan N Steinmann
DockOnSurf: A Python Code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces. Journal of chemical information and modeling 61 (7) (2021)
Nawras Abidi, Audrey Bonduelle-Skrzypczak, Stephan N Steinmann
Revisiting the Active Sites at the MoS2/H2O Interface via Grand-Canonical DFT: The Role of Water Dissociation. ACS applied materials & interfaces 12 (28) (2020)
Paul Clabaut, Benjamin Schweitzer, Andreas W Götz, Carine Michel, Stephan N Steinmann
Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations. Journal of chemical theory and computation 16 (10) (2020)
Christopher Panaritis, Yasmine M Hajar, Laureline Treps, Carine Michel, Elena A Baranova, Stephan N Steinmann
Demystifying the Atomistic Origin of the Electric Field Effect on Methane Oxidation. The journal of physical chemistry letters 11 (17) (2020)
Antton Curutchet, Pauline Colinet, Carine Michel, Stephan N Steinmann, Tangui Le Bahers
Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization. Physical chemistry chemical physics : PCCP 22 (13) (2020)
Ruben Staub, Stephan N Steinmann
Parameter-free coordination numbers for solutions and interfaces. The Journal of chemical physics 152 (2) (2020)
Yuan Fang, Song-Yuan Ding, Meng Zhang, Stephan N Steinmann, Ren Hu, Bing-Wei Mao, Juan M Feliu, Zhong-Qun Tian
Revisiting the Atomistic Structures at the Interface of Au(111) Electrode-Sulfuric Acid Solution. Journal of the American Chemical Society 142 (20) (2020)
Paul Clabaut, Paul Fleurat-Lessard, Carine Michel, Stephan N Steinmann
Ten Facets, One Force Field: The GAL19 Force Field for Water-Noble Metal Interfaces. Journal of chemical theory and computation 16 (7) (2020)
Charles Guérin, Zhan Zhang, Ludivine Jean-Gérard, Stephan N Steinmann, Carine Michel, Bruno Andrioletti
Strong Affinity of Triazolium-Appended Dipyrromethenes (TADs) for BF4. Molecules (Basel, Switzerland) 25 (19) (2020)
Kiran Mathew, Venkata Surya Chaitanya Kolluru, Srinidhi Mula, Stephan N Steinmann, Richard G Hennig
Implicit self-consistent electrolyte model in plane-wave density-functional theory. The Journal of chemical physics 151 (23) (2019)
Emanuele Vignola, Stephan N Steinmann, Bart D Vandegehuchte, Daniel Curulla, Michail Stamatakis, Philippe Sautet
A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers. The Journal of chemical physics 147 (5) (2018)
Stephan N Steinmann, Rodrigo Ferreira De Morais, Andreas W Götz, Paul Fleurat-Lessard, Marcella Iannuzzi, Philippe Sautet, Carine Michel
Force Field for Water over Pt(111): Development, Assessment, and Comparison. Journal of chemical theory and computation 14 (6) (2018)
Ruben Staub, Marcella Iannuzzi, Rustam Z Khaliullin, Stephan N Steinmann
Energy Decomposition Analysis for Metal Surface-Adsorbate Interactions by Block Localized Wave Functions. Journal of chemical theory and computation 15 (1) (2018)
Stephan N Steinmann, Philippe Sautet, Carine Michel
Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models. Physical chemistry chemical physics : PCCP 18 (46) (2018)
Stephan N Steinmann, Paul Fleurat-Lessard, Andreas W Götz, Carine Michel, Rodrigo Ferreira de Morais, Philippe Sautet
Molecular mechanics models for the image charge, a comment on "including image charge effects in the molecular dynamics simulations of molecules on metal surfaces". Journal of computational chemistry 38 (24) (2017)

Stephan N Steinmann.css-eqlu8i{font-size:small;padding-left:4px;} (Stephan Steinmann)

Publication Activity (10 Years)

Top Topics

Top Venues

Stephan N Steinmann (Stephan Steinmann)