Jens Smiatek

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 29

Top Topics

Density Functional Theory

Machine Learning

Top Venues

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

The journal of physical chemistry. A

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

Publications

Niklas Adebar, Julian Keupp, Victor N Emenike, Jonas Kühlborn, Lisa Vom Dahl, Robert Möckel, Jens Smiatek
Scientific Deep Machine Learning Concepts for the Prediction of Concentration Profiles and Chemical Reaction Kinetics: Consideration of Reaction Conditions. The journal of physical chemistry. A (2024)
Jens Smiatek
Principles of Molecular Evolution: Concepts from Non-equilibrium Thermodynamics for the Multilevel Theory of Learning. Journal of molecular evolution (2024)
Ji Young Yang, Oliver Burkert, Boris Mizaikoff, Jens Smiatek
Impact of Urea on Monoclonal Antibodies: Multiple Destabilization and Aggregation Effects for Therapeutic Immunoglobulin G Proteins. ACS omega 9 (5) (2024)
Niklas Adebar, Julian Keupp, Victor N Emenike, Jonas Kühlborn, Lisa Vom Dahl, Robert Möckel, Jens Smiatek
Scientific Deep Machine Learning Concepts for the Prediction of Concentration Profiles and Chemical Reaction Kinetics: Consideration of Reaction Conditions. The journal of physical chemistry. A 128 (5) (2024)
Niklas Adebar, Sabine Arnold, Liliana M Herrera, Victor N Emenike, Thomas Wucherpfennig, Jens Smiatek
Physics-informed neural networks for biopharmaceutical cultivation processes: Consideration of varying process parameter settings. Biotechnology and bioengineering (2024)
Ratna Singh, Jens Smiatek, Bruno M Moerschbacher
Unraveling the Impact of Acetylation Patterns in Chitosan Oligomers on Cu 2+ Ion Binding: Insights from DFT Calculations. International journal of molecular sciences 24 (18) (2023)
Ramón Alain Miranda-Quintana, Lexin Chen, Vincent Stuart James Craig, Jens Smiatek
Quantitative Solvation Energies from Gas-Phase Calculations: First-Principles Charge Transfer and Perturbation Approaches. The journal of physical chemistry. B 127 (11) (2023)
Ramón Alain Miranda-Quintana, Lexin Chen, Vincent Stuart James Craig, Jens Smiatek
Quantitative Solvation Energies from Gas-Phase Calculations: First-Principles Charge Transfer and Perturbation Approaches. The journal of physical chemistry. B (2023)
Takeshi Kobayashi, Jens Smiatek, Maria Fyta
Probing the distribution of ionic liquid mixtures at charged and neutral interfaces via simulations and lattice-gas theory. Physical chemistry chemical physics : PCCP 24 (27) (2022)
Ramón Alain Miranda-Quintana, Jens Smiatek
Electronic properties of amino acids and nucleobases: similarity classes and pairing principles from chemical reactivity indices. Physical chemistry chemical physics : PCCP 24 (37) (2022)
I-Ting Ho, Milena Matysik, Liliana Montano Herrera, Jiyoung Yang, Ralph Joachim Guderlei, Michael Laussegger, Bernhard Schrantz, Regine Hammer, Ramón Alain Miranda-Quintana, Jens Smiatek
Combination of explainable machine learning and conceptual density functional theory: applications for the study of key solvation mechanisms. Physical chemistry chemical physics : PCCP 24 (46) (2022)
Ramón Alain Miranda-Quintana, Jens Smiatek
Application of Fundamental Chemical Principles for Solvation Effects: A Unified Perspective for Interaction Patterns in Solution. The journal of physical chemistry. B 126 (43) (2022)
Fabian Keller, Andreas Heuer, Hans-Joachim Galla, Jens Smiatek
Stabilization of DPPC lipid bilayers in the presence of co-solutes: molecular mechanisms and interaction patterns. Physical chemistry chemical physics : PCCP 23 (40) (2021)
Ramón Alain Miranda-Quintana, Jens Smiatek
Electronic Properties of Protein Destabilizers and Stabilizers: Implications for Preferential Binding and Exclusion Mechanisms. The journal of physical chemistry. B 125 (43) (2021)
Ewa Anna Oprzeska-Zingrebe, Jens Smiatek
Interactions of a DNA G-quadruplex with TMAO and urea: a molecular dynamics study on co-solute compensation mechanisms. Physical chemistry chemical physics : PCCP 23 (2) (2021)
Ramón Alain Miranda-Quintana, Jens Smiatek
Specific Ion Effects in Different Media: Current Status and Future Challenges. The journal of physical chemistry. B 125 (51) (2021)
Julia Wittmar, Susann Meyer, Thorben Sieling, Jörg Kunte, Jens Smiatek, Izabella Brand
What Does Ectoine Do to DNA? A Molecular-Scale Picture of Compatible Solute-Biopolymer Interactions. The journal of physical chemistry. B 124 (37) (2020)
Tihomir Solomun, Marc Benjamin Hahn, Jens Smiatek
Raman Spectroscopic Signature of Ectoine Conformations in Bulk Solution and Crystalline State. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (17) (2020)
Ramón Alain Miranda-Quintana, Jens Smiatek
Theoretical Insights into Specific Ion Effects and Strong-Weak Acid-Base Rules for Ions in Solution: Deriving the Law of Matching Solvent Affinities from First Principles. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (23) (2020)
Jens Smiatek
Specific Ion Effects and the Law of Matching Solvent Affinities: A Conceptual Density Functional Theory Approach. The journal of physical chemistry. B 124 (11) (2020)
Pedro A Sánchez, Martin Vögele, Jens Smiatek, Baofu Qiao, Marcello Sega, Christian Holm
Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems. Soft matter 15 (46) (2019)
Aniruddha Nandy, Jens Smiatek
Mixtures of LiTFSI and urea: ideal thermodynamic behavior as key to the formation of deep eutectic solvents? Physical chemistry chemical physics : PCCP 21 (23) (2019)
Ewa Anna Oprzeska-Zingrebe, Jens Smiatek
Aqueous Mixtures of Urea and Trimethylamine-N-oxide: Evidence for Kosmotropic or Chaotropic Behavior? The journal of physical chemistry. B 123 (20) (2019)
Takeshi Kobayashi, Joshua E S J Reid, Seishi Shimizu, Maria Fyta, Jens Smiatek
The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood-Buff approaches. Physical chemistry chemical physics : PCCP 19 (29) (2018)
Ewa Anna Oprzeska-Zingrebe, Jens Smiatek
Aqueous ionic liquids in comparison with standard co-solutes : Differences and common principles in their interaction with protein and DNA structures. Biophysical reviews 10 (3) (2018)
Julian Michalowsky, Johannes Zeman, Christian Holm, Jens Smiatek
A polarizable MARTINI model for monovalent ions in aqueous solution. The Journal of chemical physics 149 (16) (2018)
Frank Uhlig, Johannes Zeman, Jens Smiatek, Christian Holm
First-Principles Parametrization of Polarizable Coarse-Grained Force Fields for Ionic Liquids. Journal of chemical theory and computation 14 (3) (2018)
Daniel Markthaler, Johannes Zeman, Jörg Baz, Jens Smiatek, Niels Hansen
Validation of Trimethylamine-N-oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions. The journal of physical chemistry. B 121 (47) (2017)
Jonas Landsgesell, Christian Holm, Jens Smiatek
Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions. Journal of chemical theory and computation 13 (2) (2017)