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The Journal of Chemical Physics
|
April 22, 2019
A new class of reaction path based potential energy surfaces enabling accurate black box chemical rate constant calculations
Julien Steffen
Journal of Chemical Theory and Computation
|
August 9, 2023
Caracal: A Versatile Ring Polymer Molecular Dynamics Simulation Package
Julien Steffen
The Journal of Chemical Physics
|
May 1, 2017
Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields
Julien Steffen, Bernd Hartke
Journal of Chemical Theory and Computation
|
November 6, 2025
utils4VASP: Setup and Evaluation of Electronic Structure and Machine-Learned Interatomic Potential Simulations with VASP
Julien Steffen, Andreas Mölkner, Maximilian A Bechtel
The Journal of Physical Chemistry. A
|
March 14, 2023
Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water
Amin Alibakhshi, Julien Steffen, Carlos Pinilla, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 2, 2024
Adsorption and Thermal Evolution of the Carbonyl-functionalized Ionic Liquid [5-oxo-C<sub>6</sub>C<sub>1</sub>Im][NTf<sub>2</sub>] on Pt(111): A Combined IRAS, STM, and DFT Study
Hanna Bühlmeyer, Lukas Knörr, Julien Steffen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 2, 2025
Structure Formation in the Wetting Layer of a Carbonyl-Functionalized Ionic Liquid on Au(111): How to Control the Functional Group?
Lukas Knörr, Hanna Bühlmeyer, Julien Steffen, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
September 9, 2025
Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Propane Dehydrogenation-Intermetallic Phases and Liquid Alloys Studied by Pair Distribution Function Analysis and Density Functional Theory
Felix Egger, Andreas Mölkner, Julien Steffen, et al.
Nanotechnology
|
December 4, 2023
Bromination of 2D materials
Eva Marie Freiberger, Julien Steffen, Natalie J Waleska-Wellnhofer, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 5, 2023
Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C
Hanna Bühlmeyer, Jonas Hauner, Roman Eschenbacher, et al.
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Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 22, 2019
A new class of reaction path based potential energy surfaces enabling accurate black box chemical rate constant calculations
Julien Steffen
Journal of Chemical Theory and Computation
|
August 9, 2023
Caracal: A Versatile Ring Polymer Molecular Dynamics Simulation Package
Julien Steffen
The Journal of Chemical Physics
|
May 1, 2017
Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields
Julien Steffen, Bernd Hartke
Journal of Chemical Theory and Computation
|
November 6, 2025
utils4VASP: Setup and Evaluation of Electronic Structure and Machine-Learned Interatomic Potential Simulations with VASP
Julien Steffen, Andreas Mölkner, Maximilian A Bechtel
The Journal of Physical Chemistry. A
|
March 14, 2023
Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water
Amin Alibakhshi, Julien Steffen, Carlos Pinilla, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 2, 2024
Adsorption and Thermal Evolution of the Carbonyl-functionalized Ionic Liquid [5-oxo-C<sub>6</sub>C<sub>1</sub>Im][NTf<sub>2</sub>] on Pt(111): A Combined IRAS, STM, and DFT Study
Hanna Bühlmeyer, Lukas Knörr, Julien Steffen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 2, 2025
Structure Formation in the Wetting Layer of a Carbonyl-Functionalized Ionic Liquid on Au(111): How to Control the Functional Group?
Lukas Knörr, Hanna Bühlmeyer, Julien Steffen, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
September 9, 2025
Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Propane Dehydrogenation-Intermetallic Phases and Liquid Alloys Studied by Pair Distribution Function Analysis and Density Functional Theory
Felix Egger, Andreas Mölkner, Julien Steffen, et al.
Nanotechnology
|
December 4, 2023
Bromination of 2D materials
Eva Marie Freiberger, Julien Steffen, Natalie J Waleska-Wellnhofer, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 5, 2023
Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C
Hanna Bühlmeyer, Jonas Hauner, Roman Eschenbacher, et al.
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