Ricardo Mata

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Junior Professor

University of Göttingen

Germany

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About

Dr. Ricardo Mata is a Junior Professor at Georg-August-Universität Göttingen, Germany. His research focuses on density functional theory, multicomponent methods, and the optimization of quantum nuclei positions. He has published extensively on vibrational shifts, electronic correlation, and nuclear quantum effects, contributing to advancements in quantum chemistry and computational methods.

Recent Grants

Grant: Close

Eine niedrig skalierende Inkrementmethode zur Berechnung von elektronischen Anregungsenergien

Open Date: 2014-01-01

Close Date: 2017-01-01

Grant: Close

Vom Elektronentransfer zur chemischen Energiespeicherung: ab-initio Untersuchungen korrelierter Prozesse

Open Date: 2013-01-01

Close Date: 2017-01-01

Grant: Close

Specific Ion-Effects and the Stability of Macromolecules: A Combined Molecular Dynamics and Ab initio Approach

Open Date: 2011-01-01

Close Date: 2013-12-31

Grant: Close

Specific Ion-Effects and the Stability of Macromolecules: A Combined Molecular Dynamics and Ab initio Approach

Open Date: 2011-01-01

Close Date: 2013-12-31

Articles (20)

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2021

Collaborators (12)

Guido Clever

Technische Universität Dortmund

GERMANY

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Beppo Hartwig

PhD Student (Prof. Dr. Martin A. Suhm)

University of Göttingen

GERMANY

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Stefan M. Kast

Technische Universität Dortmund

GERMANY

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Daniel Obenchain

Junior Professor

University of Göttingen

GERMANY

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Jonny Proppe

Tenure-Track Professor

Technische Universität Braunschweig

GERMANY

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Jon Uranga

University of the Basque Country

SPAIN

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Witold Bloch

Flinders University

AUSTRALIA

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Jeremy Harvey

Professor

KU Leuven

BELGIUM

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Martin Suhm

Professor of Physical Chemistry

University of Göttingen

GERMANY

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Shinnosuke Horiuchi

Lecturer (S. Hiraoka group)

University of Tokyo

JAPAN

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Robert Pollice

Assistant Professor

University of Groningen

NETHERLANDS

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Nadja Simeth

Associate Professor

University of Göttingen

GERMANY

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Ricardo Mata

Research Interests

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About

Recent Grants

Articles (20)

Addressing Anharmonic Effects with Density-Fitted Multicomponent Density Functional Theory

Accurate vibrational hydrogen-bond shift predictions with multicomponent DFT

NCI orbital decomposition and critical comparison to local correlation schemes

The euroSAMPL1 pKa blind prediction and reproducible research data management challenge

Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings

The Fe-MAN Challenge: Ferrates–Microkinetic Assessment of Numerical Quantum Chemistry

Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach

Local Electronic Correlation in Multicomponent Møller–Plesset Perturbation Theory

Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism

Mechanisms of Cysteine‐Lysine Covalent Linkage—The Role of Reactive Oxygen Species and Competition with Disulfide Bonds**

Mechanisms of Cysteine‐Lysine Covalent Linkage—The Role of Reactive Oxygen Species and Competition with Disulfide Bonds**

Modulating Secondary Structure Motifs Through Photo‐Labile Peptide Staples

Automated handling of complex chemical structures in Z‐matrix coordinates—The chemcoord library

Revisiting the origin of the bending in group 2 metallocenes AeCp2 (Ae = Be–Ba)

Nuclear Quantum Effects Made Accessible: Local Density Fitting in Multicomponent Methods

Benchmark experiments for numerical quantum chemistry

Setting up the HyDRA blind challenge for the microhydration of organic molecules

Theoretical Studies of the Acid–Base Equilibria in a Model Active Site of the Human 20S Proteasome

Time-Resolved Spectroscopy of Photoinduced Electron Transfer in Dinuclear and Tetranuclear Fe/Co Prussian Blue Analogues

Dispersion forces in chirality recognition – a density functional and wave function theory study of diols

Collaborators (12)

Guido Clever

Beppo Hartwig

Stefan M. Kast

Daniel Obenchain

Jonny Proppe

Jon Uranga

Witold Bloch

Jeremy Harvey

Martin Suhm

Shinnosuke Horiuchi

Robert Pollice

Nadja Simeth

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