Christian Ochsenfeld

Professor

Ludwig-Maximilians-Universität München

Germany

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Professor Christian Ochsenfeld is affiliated with Ludwig-Maximilians-Universität München in Germany. His research focuses on molecular mechanisms, covalent organic frameworks, and computational methods in quantum chemistry. Recent articles highlight his work on ATP hydrolysis, photodynamic therapy, and advanced sampling techniques in computational studies.

Christian Ochsenfeld

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Articles (28)

Molecular Mechanism of ATP Hydrolysis Catalyzed by p97: A QM/MM Study

Mixed-Length Multivariate Covalent Organic Framework for Combined Near-Infrared Photodynamic Therapy and Drug Delivery

Combining Fast Exploration with Accurate Reweighting in the OPES-eABF Hybrid Sampling Method

Toolbox of spin-adapted generalized Pauli constraints

Efficient Low-Scaling Calculation of THC-SOS-LR-CC2 and THC-SOS-ADC(2) Excitation Energies Through Density-Based Integral-Direct Tensor Hypercontraction

Top-Down versus Bottom-Up Approaches for σ-Functionals Based on the Approximate Exchange Kernel

An embedding scheme for constraint-based orbital-optimized excitations in molecular and bulk environments

QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling

Low-Scaling, Efficient and Memory Optimized Computation of Nuclear Magnetic Resonance Shieldings within the Random Phase Approximation Using Cholesky-Decomposed Densities and an Attenuated Coulomb Metric

Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term

Systematic QM/MM Study for Predicting 31P NMR Chemical Shifts of Adenosine Nucleotides in Solution and Stages of ATP Hydrolysis in a Protein Environment

Exploring Chemical Space Using Ab Initio Hyperreactor Dynamics

Simulation of the non-adiabatic dynamics of an enone-Lewis acid complex in an explicit solvent

Highly Accurate and Robust Constraint-Based Orbital-Optimized Core Excitations

A Constraint-Based Orbital-Optimized Excited State Method (COOX)

An assessment of orbital energy corrections for the direct random phase approximation and explicit σ-functionals

Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation

Improved Sampling of Adaptive Path Collective Variables by Stabilized Extended-System Dynamics

Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels

Analytical Second-Order Properties for the Random Phase Approximation: Nuclear Magnetic Resonance Shieldings

Development of hetero-triaryls as a new chemotype for subtype-selective and potent Sirt5 inhibition

Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase Approximation

Fully Automated Generation of Prebiotically Relevant Reaction Networks from Optimized Nanoreactor Simulations

Accelerating Hybrid Density Functional Theory Molecular Dynamics Simulations by Seminumerical Integration, Resolution-of-the-Identity Approximation, and Graphics Processing Units

An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb metric

Tensor-Hypercontracted MP2 First Derivatives: Runtime and Memory Efficient Computation of Hyperfine Coupling Constants

From free-energy profiles to activation free energies

Statistically optimal analysis of the extended-system adaptive biasing force (eABF) method

Collaborators (3)

Bernhard Kuster

Ville Kaila

Manfred Jung

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