Jakob Gamper

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University of Innsbruck

Austria

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Investigating the Physicochemical Properties of Functionalized Fe3O4 Nanoparticles in Aqueous Solution via a Molecular Dynamics Simulation Approach

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Articles (13)

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2025

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2025

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2025

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2025

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2023

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2022

Collaborators (2)

Asghar Mohammadi

University of Innsbruck

AUSTRIA

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Daniel Baumgarten

Professor and Head of Institute

UMIT - Private Universität für Gesundheitswissenschaften, Medizinische Informatik und Technik

AUSTRIA

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Jakob Gamper

Research Interests

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Contact this professor

Recent Grants

Articles (13)

Parametrization of Zirconium for DFTB3/3OB: A Pathway to Study Complex Zr‐Compounds for Biomedical and Material Science Applications

Comparative Study of UMCM-9 Polymorphs: Structural, Dynamic, and Hydrogen Storage Properties via Atomistic Simulations

Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy

Coupling causality and interpretable machine learning to reveal the reaction coordinate of C–N coupling with a supramolecular Cu-calix[8]arene catalyst

Molecular dynamics modelling of interacting magnetic nanoparticles for investigating equilibrium and dynamic ensemble properties

A general strategy for improving the performance of PINNs -- Analytical gradients and advanced optimizers in the NeuralSchrödinger framework

Modelling bulk and surface characteristics of cubic CeO2, Gd2O3, and gadolinium-doped ceria using a partial charge framework

Combined Experimental and Theoretical Approach to the Electronic and Magnetic Properties of Cu-Doped LaMnO<sub>3</sub> Perovskites

Storage and Diffusion of Carbon Dioxide in the Metal Organic Framework MOF-5─A Semi-empirical Molecular Dynamics Study

Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems─A Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems

Beyond the Status Quo: Density Functional Tight Binding and Neural Network Potentials as a Versatile Simulation Strategy to Characterize Host–Guest Interactions in Metal- and Covalent Organic Frameworks

Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes

From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems

Collaborators (2)

Asghar Mohammadi

Daniel Baumgarten

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