Johannes M. Dieterich

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Empirical review of standard benchmark functions using evolutionary global optimization pdf

Johannes M. Dieterich, Bernd Hartke, B. Hartke, 2012, ArXiv.

Adaptive parallelism with RMI: Idle high-performance computing resources can be completely avoided pdf

Johannes M. Dieterich, Bernd Hartke, Florian Spenke, 2018, ArXiv.

Genetic Algorithms in Theoretical Chemistry :development and Applications of a General Purpose Framework.

Johannes M. Dieterich, 2010 .

Composition‐induced structural transitions in mixed Lennard‐Jones clusters: Global reparametrization and optimization

Johannes M. Dieterich, Bernd Hartke, B. Hartke, 2011, J. Comput. Chem..

libKEDF: An accelerated library of kinetic energy density functionals

Emily A. Carter, Johannes M. Dieterich, William C. Witt, 2017, J. Comput. Chem..

Shared-memory parallelization of a local correlation multi-reference CI program

Mark S. Gordon, Theresa L. Windus, Emily A. Carter, 2014, Comput. Phys. Commun..

Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics Processors

Frederico Pratas, Leonel Sousa, Ricardo A. Mata, 2012, J. Chem. Inf. Model..

A graph‐based short‐cut to low‐energy structures

Johannes M. Dieterich, Bernd Hartke, 2014, J. Comput. Chem..

Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations

Chen Huang, Linda Hung, Emily A. Carter, 2015, Comput. Phys. Commun..

Atomdroid: A Computational Chemistry Tool for Mobile Platforms

Jonas Feldt, Ricardo A. Mata, Johannes M. Dieterich, 2012, J. Chem. Inf. Model..

Cluster structures influenced by interaction with a surface.

Johannes M. Dieterich, B. Hartke, Christopher Witt, 2018, Physical chemistry chemical physics : PCCP.

Orbital-free density functional theory for materials research

Johannes M. Dieterich, E. Carter, B. G. del Rio, 2018 .

Malleable parallelism with minimal effort for maximal throughput and maximal hardware load

Johannes M. Dieterich, B. Hartke, Florian Spenke, 2019, Computational and Theoretical Chemistry.

Numerical Challenges in a Cholesky‐Decomposed Local Correlation Quantum Chemistry Framework

Johannes M. Dieterich, David B. Krisiloff, E. Carter, 2015 .

A push-and-pull model for allosteric anion binding in cage complexes.

Johannes M. Dieterich, R. Mata, G. Clever, 2012, Physical chemistry chemical physics : PCCP.

A size resolved investigation of large water clusters.

Johannes M. Dieterich, Bernd Hartke, Johannes M Dieterich, 2014, Physical chemistry chemical physics : PCCP.

OGOLEM: Global cluster structure optimisation for arbitrary mixtures of flexible molecules. A multiscaling, object-oriented approach

Johannes M. Dieterich, Bernd Hartke, B. Hartke, 2010 .

Opinion: Quantum solutions for a sustainable energy future

Emily A. Carter, Johannes M. Dieterich, E. Carter, 2017 .

Improved Cluster Structure Optimization: Hybridizing Evolutionary Algorithms with Local Heat Pulses

Johannes M. Dieterich, B. Hartke, 2017 .

Monomeric Sn(II) and Ge(II) hydrides supported by a tridentate pincer-based ligand.

Johannes M. Dieterich, D. Stalke, R. Mata, 2012, Chemical communications.

A First-Principles-Based Potential for the Description of Alkaline Earth Metals

Johannes M. Dieterich, R. Mata, Sebastian Gerke, 2012 .

Automated diffraction tomography for the structure elucidation of twinned, sub-micrometer crystals of a highly porous, catalytically active bismuth metal-organic framework.

Johannes M. Dieterich, U. Kolb, D. D. De Vos, 2012, Angewandte Chemie.

Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids.

Johannes M. Dieterich, E. Carter, B. G. del Rio, 2017, Journal of Chemical Theory and Computation.

Heteroaromaticity approached by charge density investigations and electronic structure calculations.

Johannes M. Dieterich, D. Stalke, D. Kratzert, 2013, Physical chemistry chemical physics : PCCP.

Assessment of a semi integral-direct local multi-reference configuration interaction implementation employing shared-memory parallelization

Johannes M. Dieterich, E. Carter, 2015 .

Bond dissociation energies of C10 and C18 methyl esters from local multireference averaged-coupled pair functional theory.

Johannes M. Dieterich, David B. Krisiloff, E. Carter, 2015, The journal of physical chemistry. A.

Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests.

Johannes M. Dieterich, E. Carter, F. Libisch, 2017, Journal of chemical theory and computation.

Aggregation of Kanamycin A: dimer formation with physiological cations

Johannes M. Dieterich, B. Hartke, J. Schröder, 2011, Journal of molecular modeling.

Preparation of RSn(I)-Sn(I)R with two unsymmetrically coordinated Sn(I) atoms and subsequent gentle activation of P4.

Johannes M. Dieterich, D. Stalke, R. Mata, 2011, Journal of the American Chemical Society.

From Mannose to Small Amphiphilic Polyol: Perfect Linearity Leads To Spontaneous Aggregation

Johannes M. Dieterich, J. Ruokolainen, R. Leino, 2016 .

Relative anion binding affinity in a series of interpenetrated coordination cages.

Johannes M. Dieterich, R. Mata, M. Frank, 2013, Dalton transactions.

Exploring self‐organization of molecular tether molecules on a gold surface by global structure optimization

Johannes M. Dieterich, Bernd Hartke, Antonia Freibert, 2019, J. Comput. Chem..

Density and Potential Functional Embedding: Theory and Practice

Johannes M. Dieterich, E. Carter, Kuang Yu, 2017 .

Potential Functional Embedding Theory at the Correlated Wave Function Level. 1. Mixed Basis Set Embedding.

Jin Cheng, Johannes M. Dieterich, Florian Libisch, 2017, Journal of chemical theory and computation.

Density functional theory + U analysis of the electronic structure and defect chemistry of LSCF (La0.5Sr0.5Co0.25Fe0.75O3-δ).

Johannes M. Dieterich, E. Carter, Andrew M. Ritzmann, 2016, Physical chemistry chemical physics : PCCP.

Hydride Transfer at the GaP(110)/Solution Interface: Mechanistic Implications for CO2 Reduction Catalyzed by Pyridine

Johannes M. Dieterich, E. Carter, Martina Lessio, 2017 .

Design of optimally switchable molecules by genetic algorithms.

Johannes M. Dieterich, Bernd Hartke, Johannes M Dieterich, 2011, Physical chemistry chemical physics : PCCP.

Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations.

Walter Thiel, Johannes M. Dieterich, Hans-Joachim Werner, 2010, The Journal of chemical physics.

Application of Local Second-Order Møller-Plesset Perturbation Theory to the Study of Structures in Solution.

Johannes M. Dieterich, R. Mata, João C. A. Oliveira, 2012, Journal of chemical theory and computation.

The layered structure of [Na(NH3)4][Indenide] containing a square-planar Na(NH3)4(+) cation.

Johannes M. Dieterich, D. Stalke, R. Mata, 2013, Angewandte Chemie.

Density functional theory investigation of the electronic structure and defect chemistry of Sr_1-xK_xFeO_3

Johannes M. Dieterich, E. Carter, Andrew M. Ritzmann, 2016 .

Automated diffraction tomography for the structure elucidation of twinned, sub-micrometer crystals of a highly porous, catalytically active bismuth metal-organic framework.

Johannes M. Dieterich, U. Kolb, D. D. De Vos, 2012, Angewandte Chemie.

Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids.

Johannes M. Dieterich, E. Carter, Beatriz G. del Rio, 2017, Journal of chemical theory and computation.