Frank Neese

Affiliations
  • Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany.

Publications (87)

All-electron scalar relativistic basis sets for the elements Rb-Xe.

Journal of computational chemistry
Avec: Julian D Rolfes , Frank Neese , Dimitrios A Pantazis

Dispersion Forces Drive the Formation of Uranium-Alkane Adducts.

Journal of the American Chemical Society
Avec: Julie Jung , Sascha T Löffler , Jan Langmann , Frank W Heinemann , Eckhard Bill , Giovanni Bistoni , Wolfgang Scherer , Mihail Atanasov , Karsten Meyer , Frank Neese

Where Is the Fluoro Wall?: A Quantum Chemical Investigation.

Inorganic chemistry
Avec: Julian D Rolfes , Maurice van Gastel , Frank Neese

Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron-Sulfur Dimers.

Inorganic chemistry
Avec: Vijay Gopal Chilkuri , Serena DeBeer , Frank Neese

Reduction of CO

Chemical science
Avec: Lisa Roy , Malik H Al-Afyouni , Daniel E DeRosha , Bhaskar Mondal , Ida M DiMucci , Kyle M Lancaster , Jason Shearer , Eckhard Bill , William W Brennessel , Frank Neese , Shengfa Ye , Patrick L Holland

London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study.

Physical chemistry chemical physics : PCCP
Avec: Qing Lu , Frank Neese , Giovanni Bistoni

A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states.

The Journal of chemical physics
Avec: Achintya Kumar Dutta , Masaaki Saitow , Baptiste Demoulin , Frank Neese , Róbert Izsák

An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices.

The Journal of chemical physics
Avec: Christian Kollmar , Kantharuban Sivalingam , Yang Guo , Frank Neese

How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center.

Journal of chemical theory and computation
Avec: Abhishek Sirohiwal , Frank Neese , Dimitrios A Pantazis

Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following.

Journal of chemical theory and computation
Avec: Vilhjálmur Ásgeirsson , Benedikt Orri Birgisson , Ragnar Bjornsson , Ute Becker , Frank Neese , Christoph Riplinger , Hannes Jónsson

An improved chain of spheres for exchange algorithm.

The Journal of chemical physics
Avec: Benjamin Helmich-Paris , Bernardo de Souza , Frank Neese , Róbert Izsák

Comprehensive Studies of Magnetic Transitions and Spin-Phonon Couplings in the Tetrahedral Cobalt Complex Co(AsPh

Inorganic chemistry
Avec: Duncan H Moseley , Zhiming Liu , Alexandria N Bone , Shelby E Stavretis , Saurabh Kumar Singh , Mihail Atanasov , Zhengguang Lu , Mykhaylo Ozerov , Komalavalli Thirunavukkuarasu , Yongqiang Cheng , Luke L Daemen , Daphné Lubert-Perquel , Dmitry Smirnov , Frank Neese , A J Ramirez-Cuesta , Stephen Hill , Kim R Dunbar , Zi-Ling Xue

Electronic structure analysis of electrochemical CO

Chemical science
Avec: Maxime Tarrago , Shengfa Ye , Frank Neese

Calculation of exchange couplings in the electronically excited state of molecular three-spin systems.

Chemical science
Avec: Michael Franz , Frank Neese , Sabine Richert

Triplet states in the reaction center of Photosystem II.

Chemical science
Avec: Sinjini Bhattacharjee , Frank Neese , Dimitrios A Pantazis

Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT.

Journal of chemical theory and computation
Avec: Hagen Neugebauer , Peter Pinski , Stefan Grimme , Frank Neese , Markus Bursch

Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies.

Accounts of chemical research
Avec: Giovanni Bistoni , Ahmet Altun , Zikuan Wang , Frank Neese

DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings.

The Journal of chemical physics
Avec: Georgi L Stoychev , Alexander A Auer , Jürgen Gauss , Frank Neese

Protein Matrix Control of Reaction Center Excitation in Photosystem II.

Journal of the American Chemical Society
Avec: Abhishek Sirohiwal , Frank Neese , Dimitrios A Pantazis

Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist binding.

Journal of computational chemistry
Avec: Michael Edmund Beck , Christoph Riplinger , Frank Neese , Giovanni Bistoni

Comparison of many-particle representations for selected-CI I: A tree based approach.

Journal of computational chemistry
Avec: Vijay Gopal Chilkuri , Frank Neese

HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †.

Journal of chemical theory and computation
Avec: Ahmet Altun , Frank Neese , Giovanni Bistoni

Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method.

Physical chemistry chemical physics : PCCP
Avec: Jakub Lang , Jiří Brabec , Masaaki Saitow , Jiří Pittner , Frank Neese , Ondřej Demel

Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application.

Journal of chemical theory and computation
Avec: Soumi Haldar , Christoph Riplinger , Baptiste Demoulin , Frank Neese , Robert Izsak , Achintya Kumar Dutta

Analytical gradient for the domain-based local pair natural orbital second order Møller-Plesset perturbation theory method (DLPNO-MP2).

The Journal of chemical physics
Avec: Peter Pinski , Frank Neese

Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study.

The journal of physical chemistry. A
Avec: Reza Ghafarian Shirazi , Frank Neese , Dimitrios A Pantazis , Giovanni Bistoni

Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method.

Journal of chemical theory and computation
Avec: Romain Berraud-Pache , Frank Neese , Giovanni Bistoni , Róbert Izsák

Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods.

Journal of the American Chemical Society
Avec: Diana Yepes , Frank Neese , Benjamin List , Giovanni Bistoni

An alternative choice of the zeroth-order Hamiltonian in CASPT2 theory.

The Journal of chemical physics
Avec: Christian Kollmar , Kantharuban Sivalingam , Frank Neese

The first microsolvation step for furans: New experiments and benchmarking strategies.

The Journal of chemical physics
Avec: Hannes C Gottschalk , Anja Poblotzki , Mariyam Fatima , Daniel A Obenchain , Cristóbal Pérez , Jens Antony , Alexander A Auer , Leonardo Baptista , David M Benoit , Giovanni Bistoni , Fabian Bohle , Rahma Dahmani , Dzmitry Firaha , Stefan Grimme , Andreas Hansen , Michael E Harding , Majdi Hochlaf , Christof Holzer , Georg Jansen , Wim Klopper , Wassja A Kopp , Małgorzata Krasowska , Leif C Kröger , Kai Leonhard , Muneerah Mogren Al-Mogren , Halima Mouhib , Frank Neese , Max N Pereira , Muthuramalingam Prakash , Inga S Ulusoy , Ricardo A Mata , Martin A Suhm , Melanie Schnell

Chlorophyll excitation energies and structural stability of the CP47 antenna of photosystem II: a case study in the first-principles simulation of light-harvesting complexes.

Chemical science
Avec: Abhishek Sirohiwal , Frank Neese , Dimitrios A Pantazis

Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). I. Revisiting the NEVPT2 construction.

The Journal of chemical physics
Avec: Yang Guo , Kantharuban Sivalingam , Frank Neese

Effect of Spin-Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide Complexes.

Inorganic chemistry
Avec: Khetpakorn Chakarawet , Mihail Atanasov , John E Ellis , Wayne W Lukens , Victor G Young , Ruchira Chatterjee , Frank Neese , Jeffrey R Long

Converged Structural and Spectroscopic Properties for Refined QM/MM Models of Azurin.

Inorganic chemistry
Avec: Christine E Schulz , Maurice van Gastel , Dimitrios A Pantazis , Frank Neese

Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations.

The journal of physical chemistry. A
Avec: Ahmet Altun , Soumen Ghosh , Christoph Riplinger , Frank Neese , Giovanni Bistoni

First-Principles Study of Optical Absorption Energies, Ligand Field and Spin-Hamiltonian Parameters of Cr

Inorganic chemistry
Avec: Mihail Atanasov , Emiliana-Laura Andreici Eftimie , Nicolae M Avram , Mikhail G Brik , Frank Neese

Can domain-based local pair natural orbitals approaches accurately predict phosphorescence energies?

Physical chemistry chemical physics : PCCP
Avec: Giovanna Bruno , Bernardo de Souza , Frank Neese , Giovanni Bistoni

Valence-to-core X-ray emission spectroscopy of transition metal tetrahalides: mechanisms governing intensities.

Physical chemistry chemical physics : PCCP
Avec: Christina Roemelt , Sergey Peredkov , Frank Neese , Michael Roemelt , Serena DeBeer

A perspective on the future of quantum chemical software: the example of the ORCA program package.

Faraday discussions
Avec: Frank Neese

The spin-forbidden transition in iron(IV)-oxo catalysts relevant to two-state reactivity.

Science advances
Avec: Derek B Rice , Deniz Wong , Thomas Weyhermüller , Frank Neese , Serena DeBeer

Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings.

The journal of physical chemistry. A
Avec: Tiago Leyser da Costa Gouveia , Dimitrios Maganas , Frank Neese

Magnetic exchange and valence delocalization in a mixed valence [Fe

Physical chemistry chemical physics : PCCP
Avec: M Atanasov , N Spiller , F Neese

Theoretical Magnetic Relaxation and Spin-Phonon Coupling Study in a Series of Molecular Engineering Designed Bridged Dysprosocenium Analogues.

Inorganic chemistry
Avec: Kamil Kotrle , Mihail Atanasov , Frank Neese , Radovan Herchel

Synthesis and isolation of a triplet bismuthinidene with a quenched magnetic response.

Science (New York, N.Y.)
Avec: Yue Pang , Nils Nöthling , Markus Leutzsch , Liqun Kang , Eckhard Bill , Maurice van Gastel , Edward Reijerse , Richard Goddard , Lucas Wagner , Daniel SantaLucia , Serena DeBeer , Frank Neese , Josep Cornella

Structural characterization and reactivity of a room-temperature-stable, antiaromatic cyclopentadienyl cation salt.

Nature chemistry
Avec: Yannick Schulte , Christoph Wölper , Susanne M Rupf , Moritz Malischewski , Daniel J SantaLucia , Frank Neese , Gebhard Haberhauer , Stephan Schulz

Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal-organic framework.

Science (New York, N.Y.)
Avec: Kaipeng Hou , Jonas Börgel , Henry Z H Jiang , Daniel J SantaLucia , Hyunchul Kwon , Hao Zhuang , Khetpakorn Chakarawet , Rachel C Rohde , Jordan W Taylor , Chaochao Dun , Maria V Paley , Ari B Turkiewicz , Jesse G Park , Haiyan Mao , Ziting Zhu , E Ercan Alp , Jiyong Zhao , Michael Y Hu , Barbara Lavina , Sergey Peredkov , Xudong Lv , Julia Oktawiec , Katie R Meihaus , Dimitrios A Pantazis , Marco Vandone , Valentina Colombo , Eckhard Bill , Jeffrey J Urban , R David Britt , Fernande Grandjean , Gary J Long , Serena DeBeer , Frank Neese , Jeffrey A Reimer , Jeffrey R Long

Elucidation of the exchange interaction in photoexcited three-spin systems - a second-order perturbational approach.

Physical chemistry chemical physics : PCCP
Avec: Michael Franz , Frank Neese , Sabine Richert

Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics.

Journal of chemical theory and computation
Avec: Benedikt M Flöser , Yang Guo , Christoph Riplinger , Felix Tuczek , Frank Neese

Mechanism of L

The Journal of chemical physics
Avec: Dimitrios Maganas , Joanna K Kowalska , Casey Van Stappen , Serena DeBeer , Frank Neese

Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge Scheme.

Journal of computational chemistry
Avec: Miquel Garcia-Ratés , Frank Neese

Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T

The Journal of chemical physics
Avec: Yang Guo , Christoph Riplinger , Dimitrios G Liakos , Ute Becker , Masaaki Saitow , Frank Neese

Accurate Band Gap Predictions of Semiconductors in the Framework of the Similarity Transformed Equation of Motion Coupled Cluster Theory.

Inorganic chemistry
Avec: Anneke Dittmer , Róbert Izsák , Frank Neese , Dimitrios Maganas

Five-coordinate Mn

Proceedings of the National Academy of Sciences of the United States of America
Avec: Maria Chrysina , Eiri Heyno , Yury Kutin , Michael Reus , Håkan Nilsson , Marc M Nowaczyk , Serena DeBeer , Frank Neese , Johannes Messinger , Wolfgang Lubitz , Nicholas Cox

A Series of Iron Nitrosyl Complexes {Fe-NO}

Journal of the American Chemical Society
Avec: Martin Keilwerth , Johannes Hohenberger , Frank W Heinemann , Jörg Sutter , Andreas Scheurer , Huayi Fang , Eckhard Bill , Frank Neese , Shengfa Ye , Karsten Meyer

Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework.

Journal of chemical theory and computation
Avec: Ahmet Altun , Masaaki Saitow , Frank Neese , Giovanni Bistoni

Efficient implementation of the analytical second derivatives of hartree-fock and hybrid DFT energies within the framework of the conductor-like polarizable continuum model.

Journal of computational chemistry
Avec: Miquel Garcia-Ratés , Frank Neese

Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin.

Inorganic chemistry
Avec: Maxime Tarrago , Christina Römelt , Joscha Nehrkorn , Alexander Schnegg , Frank Neese , Eckhard Bill , Shengfa Ye

The Journal of chemical physics
Avec: Dipayan Datta , Masaaki Saitow , Barbara Sandhöfer , Frank Neese

Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations.

Journal of chemical theory and computation
Avec: Ahmet Altun , Frank Neese , Giovanni Bistoni

Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2.

Journal of chemical theory and computation
Avec: Anneke Dittmer , Georgi L Stoychev , Dimitrios Maganas , Alexander A Auer , Frank Neese

Productive Alkyne Metathesis with "Canopy Catalysts" Mandates Pseudorotation.

Journal of the American Chemical Society
Avec: Alexander Haack , Julius Hillenbrand , Markus Leutzsch , Maurice van Gastel , Frank Neese , Alois Fürstner

Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations.

Journal of chemical theory and computation
Avec: Vijay Gopal Chilkuri , Frank Neese

Solution of a Puzzle: High-Level Quantum-Chemical Treatment of Pseudocontact Chemical Shifts Confirms Classic Semiempirical Theory.

The journal of physical chemistry letters
Avec: Lucas Lang , Enrico Ravera , Giacomo Parigi , Claudio Luchinat , Frank Neese

Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms.

The Journal of chemical physics
Avec: Ashutosh Kumar , Frank Neese , Edward F Valeev

Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems.

Journal of chemical theory and computation
Avec: Zhigang Ni , Yang Guo , Frank Neese , Wei Li , Shuhua Li

Carbon Monoxide Binding to the Iron-Molybdenum Cofactor of Nitrogenase: a Detailed Quantum Mechanics/Molecular Mechanics Investigation.

Inorganic chemistry
Avec: Nico Spiller , Ragnar Bjornsson , Serena DeBeer , Frank Neese

Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). II. The full rank NEVPT2 (FR-NEVPT2) formulation.

The Journal of chemical physics
Avec: Yang Guo , Kantharuban Sivalingam , Christian Kollmar , Frank Neese

Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches.

Journal of chemical theory and computation
Avec: Sinjini Bhattacharjee , Miho Isegawa , Miquel Garcia-Ratés , Frank Neese , Dimitrios A Pantazis

The SHARK integral generation and digestion system.

Journal of computational chemistry
Avec: Frank Neese

Quantum computing in pharma: A multilayer embedding approach for near future applications.

Journal of computational chemistry
Avec: Róbert Izsák , Christoph Riplinger , Nick S Blunt , Bernardo de Souza , Nicole Holzmann , Ophelia Crawford , Joan Camps , Frank Neese , Patrick Schopf

Cluster-in-Molecule Method Combined with the Domain-Based Local Pair Natural Orbital Approach for Electron Correlation Calculations of Periodic Systems.

Journal of chemical theory and computation
Avec: Yuqi Wang , Zhigang Ni , Frank Neese , Wei Li , Yang Guo , Shuhua Li

Exchange Interactions and Magnetic Properties of a Molecular Mn

Chemistry (Weinheim an der Bergstrasse, Germany)
Avec: Jascha Bandemehr , Mihail Atanasov , Shashank Vittal Rao , Frank Neese , Clemens Pietzonka , Sergei I Ivlev , Florian Kraus

Oxygen-Donor Metalloligands Induce Slow Magnetization Relaxation in Zero Field for a Cobalt(II) Complex with {CoO

Inorganic chemistry
Avec: Giuseppe Lococciolo , Sandeep K Gupta , Sebastian Dechert , Serhiy Demeshko , Carole Duboc , Mihail Atanasov , Frank Neese , Franc Meyer

Molybdenum(VI) Nitrido Complexes with Tripodal Silanolate Ligands. Structure and Electronic Character of an Unsymmetrical Dimolybdenum μ-Nitrido Complex Formed by Incomplete Nitrogen Atom Transfer.

Inorganic chemistry
Avec: Daniel Rütter , Maurice van Gastel , Markus Leutzsch , Nils Nöthling , Daniel SantaLucia , Frank Neese , Alois Fürstner

Code generation in ORCA: progress, efficiency and tight integration.

Physical chemistry chemical physics : PCCP
Avec: Marvin H Lechner , Anastasios Papadopoulos , Kantharuban Sivalingam , Alexander A Auer , Axel Koslowski , Ute Becker , Frank Wennmohs , Frank Neese

Microsolvation of the Redox-Active Tyrosine-D in Photosystem II: Correlation of Energetics with EPR Spectroscopy and Oxidation-Induced Proton Transfer.

Journal of the American Chemical Society
Avec: Abhishek Sirohiwal , Frank Neese , Dimitrios A Pantazis

Computational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function Approach.

The journal of physical chemistry letters
Avec: Romain Berraud-Pache , Frank Neese , Giovanni Bistoni , Róbert Izsák

Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers.

Journal of the American Chemical Society
Avec: Frank Neese , Mihail Atanasov , Giovanni Bistoni , Dimitrios Maganas , Shengfa Ye

Conversion of a Fleeting Open-Shell Iron Nitride into an Iron Nitrosyl.

Angewandte Chemie (International ed. in English)
Avec: Hao-Ching Chang , Yen-Hao Lin , Christophe Werlé , Frank Neese , Way-Zen Lee , Eckhard Bill , Shengfa Ye

Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics.

Journal of chemical theory and computation
Avec: Bernardo de Souza , Giliandro Farias , Frank Neese , Róbert Izsák

Spin-dependent properties in the framework of the dynamic correlation dressed complete active space method.

The Journal of chemical physics
Avec: Lucas Lang , Frank Neese

Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study.

Journal of chemical theory and computation
Avec: Ahmet Altun , Frank Neese , Giovanni Bistoni

Efficient simulation of overtones and combination bands in resonant Raman spectra.

The Journal of chemical physics
Avec: Bernardo de Souza , Giliandro Farias , Frank Neese , Róbert Izsák

Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory.

The journal of physical chemistry. A
Avec: Lucas Lang , Mihail Atanasov , Frank Neese

Strong and Confined Acids Control Five Stereogenic Centers in Catalytic Asymmetric Diels-Alder Reactions of Cyclohexadienones with Cyclopentadiene.

Angewandte Chemie (International ed. in English)
Avec: Santanu Ghosh , Sayantani Das , Chandra Kanta De , Diana Yepes , Frank Neese , Giovanni Bistoni , Markus Leutzsch , Benjamin List

A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water.

Journal of chemical theory and computation
Avec: Bikramjit Sharma , Van Anh Tran , Tim Pongratz , Laura Galazzo , Irina Zhurko , Enrica Bordignon , Stefan M Kast , Frank Neese , Dominik Marx

Structure-Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM Calculations.

Journal of the American Chemical Society
Avec: Christine E Schulz , Rebeca G Castillo , Dimitrios A Pantazis , Serena DeBeer , Frank Neese

Réseau de co-auteurs

Giovanni Bistoni 17 collaborations
Dimitrios A Pantazis 11 collaborations
Mihail Atanasov 9 collaborations
Serena DeBeer 9 collaborations
Róbert Izsák 8 collaborations
Eckhard Bill 7 collaborations
Yang Guo 7 collaborations
Christoph Riplinger 7 collaborations
Shengfa Ye 6 collaborations
Ahmet Altun 6 collaborations
Maurice van Gastel 5 collaborations
Masaaki Saitow 5 collaborations
Kantharuban Sivalingam 5 collaborations
Bernardo de Souza 5 collaborations
Dimitrios Maganas 5 collaborations
Abhishek Sirohiwal 4 collaborations
Alexander A Auer 4 collaborations
Markus Leutzsch 4 collaborations
Vijay Gopal Chilkuri 3 collaborations
Christian Kollmar 3 collaborations
Ute Becker 3 collaborations
Miquel Garcia-Ratés 3 collaborations
Lucas Lang 3 collaborations
Julian D Rolfes 2 collaborations
Frank W Heinemann 2 collaborations
Karsten Meyer 2 collaborations
Achintya Kumar Dutta 2 collaborations
Baptiste Demoulin 2 collaborations
Ragnar Bjornsson 2 collaborations
Maxime Tarrago 2 collaborations
Michael Franz 2 collaborations
Sabine Richert 2 collaborations
Sinjini Bhattacharjee 2 collaborations
Peter Pinski 2 collaborations
Stefan Grimme 2 collaborations
Georgi L Stoychev 2 collaborations
Romain Berraud-Pache 2 collaborations
Diana Yepes 2 collaborations
Benjamin List 2 collaborations
Khetpakorn Chakarawet 2 collaborations
Jeffrey R Long 2 collaborations
Christine E Schulz 2 collaborations
Sergey Peredkov 2 collaborations
Nils Nöthling 2 collaborations
Daniel SantaLucia 2 collaborations
Daniel J SantaLucia 2 collaborations
Anneke Dittmer 2 collaborations
Alois Fürstner 2 collaborations
Zhigang Ni 2 collaborations
Wei Li 2 collaborations
Shuhua Li 2 collaborations
Giliandro Farias 2 collaborations
Julie Jung 1 collaboration
Sascha T Löffler 1 collaboration
Jan Langmann 1 collaboration
Wolfgang Scherer 1 collaboration
Lisa Roy 1 collaboration
Malik H Al-Afyouni 1 collaboration
Daniel E DeRosha 1 collaboration
Bhaskar Mondal 1 collaboration
Ida M DiMucci 1 collaboration
Kyle M Lancaster 1 collaboration
Jason Shearer 1 collaboration
William W Brennessel 1 collaboration
Patrick L Holland 1 collaboration
Qing Lu 1 collaboration
Vilhjálmur Ásgeirsson 1 collaboration
Benedikt Orri Birgisson 1 collaboration
Hannes Jónsson 1 collaboration
Benjamin Helmich-Paris 1 collaboration
Duncan H Moseley 1 collaboration
Zhiming Liu 1 collaboration
Alexandria N Bone 1 collaboration
Shelby E Stavretis 1 collaboration
Saurabh Kumar Singh 1 collaboration
Zhengguang Lu 1 collaboration
Mykhaylo Ozerov 1 collaboration
Komalavalli Thirunavukkuarasu 1 collaboration
Yongqiang Cheng 1 collaboration
Luke L Daemen 1 collaboration
Daphné Lubert-Perquel 1 collaboration
Dmitry Smirnov 1 collaboration
A J Ramirez-Cuesta 1 collaboration
Stephen Hill 1 collaboration
Kim R Dunbar 1 collaboration
Zi-Ling Xue 1 collaboration
Hagen Neugebauer 1 collaboration
Markus Bursch 1 collaboration
Zikuan Wang 1 collaboration
Jürgen Gauss 1 collaboration
Michael Edmund Beck 1 collaboration
Jakub Lang 1 collaboration
Jiří Brabec 1 collaboration
Jiří Pittner 1 collaboration
Ondřej Demel 1 collaboration
Soumi Haldar 1 collaboration
Robert Izsak 1 collaboration
Reza Ghafarian Shirazi 1 collaboration
Hannes C Gottschalk 1 collaboration
Anja Poblotzki 1 collaboration
Mariyam Fatima 1 collaboration
Daniel A Obenchain 1 collaboration
Cristóbal Pérez 1 collaboration
Jens Antony 1 collaboration
Leonardo Baptista 1 collaboration
David M Benoit 1 collaboration
Fabian Bohle 1 collaboration
Rahma Dahmani 1 collaboration
Dzmitry Firaha 1 collaboration
Andreas Hansen 1 collaboration
Michael E Harding 1 collaboration
Majdi Hochlaf 1 collaboration
Christof Holzer 1 collaboration
Georg Jansen 1 collaboration
Wim Klopper 1 collaboration
Wassja A Kopp 1 collaboration
Małgorzata Krasowska 1 collaboration
Leif C Kröger 1 collaboration
Kai Leonhard 1 collaboration
Muneerah Mogren Al-Mogren 1 collaboration
Halima Mouhib 1 collaboration
Max N Pereira 1 collaboration
Muthuramalingam Prakash 1 collaboration
Inga S Ulusoy 1 collaboration
Ricardo A Mata 1 collaboration
Martin A Suhm 1 collaboration
Melanie Schnell 1 collaboration
John E Ellis 1 collaboration
Wayne W Lukens 1 collaboration
Victor G Young 1 collaboration
Ruchira Chatterjee 1 collaboration
Soumen Ghosh 1 collaboration
Emiliana-Laura Andreici Eftimie 1 collaboration
Nicolae M Avram 1 collaboration
Mikhail G Brik 1 collaboration
Giovanna Bruno 1 collaboration
Christina Roemelt 1 collaboration
Michael Roemelt 1 collaboration
Derek B Rice 1 collaboration
Deniz Wong 1 collaboration
Thomas Weyhermüller 1 collaboration
Tiago Leyser da Costa Gouveia 1 collaboration
M Atanasov 1 collaboration
N Spiller 1 collaboration
F Neese 1 collaboration
Kamil Kotrle 1 collaboration
Radovan Herchel 1 collaboration
Yue Pang 1 collaboration
Liqun Kang 1 collaboration
Edward Reijerse 1 collaboration
Richard Goddard 1 collaboration
Lucas Wagner 1 collaboration
Josep Cornella 1 collaboration
Yannick Schulte 1 collaboration
Christoph Wölper 1 collaboration
Susanne M Rupf 1 collaboration
Moritz Malischewski 1 collaboration
Gebhard Haberhauer 1 collaboration
Stephan Schulz 1 collaboration
Kaipeng Hou 1 collaboration
Jonas Börgel 1 collaboration
Henry Z H Jiang 1 collaboration
Hyunchul Kwon 1 collaboration
Hao Zhuang 1 collaboration
Rachel C Rohde 1 collaboration
Jordan W Taylor 1 collaboration
Chaochao Dun 1 collaboration
Maria V Paley 1 collaboration
Ari B Turkiewicz 1 collaboration
Jesse G Park 1 collaboration
Haiyan Mao 1 collaboration
Ziting Zhu 1 collaboration
E Ercan Alp 1 collaboration
Jiyong Zhao 1 collaboration
Michael Y Hu 1 collaboration
Barbara Lavina 1 collaboration
Xudong Lv 1 collaboration
Julia Oktawiec 1 collaboration
Katie R Meihaus 1 collaboration
Marco Vandone 1 collaboration
Valentina Colombo 1 collaboration
Jeffrey J Urban 1 collaboration
R David Britt 1 collaboration
Fernande Grandjean 1 collaboration
Gary J Long 1 collaboration
Jeffrey A Reimer 1 collaboration
Benedikt M Flöser 1 collaboration
Felix Tuczek 1 collaboration
Joanna K Kowalska 1 collaboration
Casey Van Stappen 1 collaboration
Dimitrios G Liakos 1 collaboration
Maria Chrysina 1 collaboration
Eiri Heyno 1 collaboration
Yury Kutin 1 collaboration
Michael Reus 1 collaboration
Håkan Nilsson 1 collaboration
Marc M Nowaczyk 1 collaboration
Johannes Messinger 1 collaboration
Wolfgang Lubitz 1 collaboration
Nicholas Cox 1 collaboration
Martin Keilwerth 1 collaboration
Johannes Hohenberger 1 collaboration
Jörg Sutter 1 collaboration
Andreas Scheurer 1 collaboration
Huayi Fang 1 collaboration
Christina Römelt 1 collaboration
Joscha Nehrkorn 1 collaboration
Alexander Schnegg 1 collaboration
Dipayan Datta 1 collaboration
Barbara Sandhöfer 1 collaboration
Alexander Haack 1 collaboration
Julius Hillenbrand 1 collaboration
Enrico Ravera 1 collaboration
Giacomo Parigi 1 collaboration
Claudio Luchinat 1 collaboration
Ashutosh Kumar 1 collaboration
Edward F Valeev 1 collaboration
Nico Spiller 1 collaboration
Miho Isegawa 1 collaboration
Nick S Blunt 1 collaboration
Nicole Holzmann 1 collaboration
Ophelia Crawford 1 collaboration
Joan Camps 1 collaboration
Patrick Schopf 1 collaboration
Yuqi Wang 1 collaboration
Jascha Bandemehr 1 collaboration
Shashank Vittal Rao 1 collaboration
Clemens Pietzonka 1 collaboration
Sergei I Ivlev 1 collaboration
Florian Kraus 1 collaboration
Giuseppe Lococciolo 1 collaboration
Sandeep K Gupta 1 collaboration
Sebastian Dechert 1 collaboration
Serhiy Demeshko 1 collaboration
Carole Duboc 1 collaboration
Franc Meyer 1 collaboration
Daniel Rütter 1 collaboration
Marvin H Lechner 1 collaboration
Anastasios Papadopoulos 1 collaboration
Axel Koslowski 1 collaboration
Frank Wennmohs 1 collaboration
Hao-Ching Chang 1 collaboration
Yen-Hao Lin 1 collaboration
Christophe Werlé 1 collaboration
Way-Zen Lee 1 collaboration
Santanu Ghosh 1 collaboration
Sayantani Das 1 collaboration
Chandra Kanta De 1 collaboration
Bikramjit Sharma 1 collaboration
Van Anh Tran 1 collaboration
Tim Pongratz 1 collaboration
Laura Galazzo 1 collaboration
Irina Zhurko 1 collaboration
Enrica Bordignon 1 collaboration
Stefan M Kast 1 collaboration
Dominik Marx 1 collaboration
Rebeca G Castillo 1 collaboration