Arcos, Teresa de los, Christian Weinberger, Frederik Zysk, Varun Raj Damerla, Sabrina Kollmann, Pascal Vieth, Michael Tiemann, Thomas Kühne, and Guido Grundmeier. “Challenges in the Interpretation of Gas Core Levels for the Determination of Gas-Solid Interactions within Dielectric Porous Films by Ambient Pressure XPS.”https://doi.org/10.1016/j.apsusc.2022.154525__Applied Surface Science 604 (2022).https://doi.org/10.1016/j.apsusc.2022.154525 .
LibreCat: /record/33691
DOI: 10.1016/j.apsusc.2022.154525

Weinberger, Christian, Frederik Zysk, Marc Hartmann, Naveen Kaliannan, Waldemar Keil, Thomas Kühne, and Michael Tiemann. “The Structure of Water in Silica Mesopores – Influence of the Pore Wall Polarity.”https://doi.org/10.1002/admi.202200245__Advanced Materials Interfaces 9, no. 20 (2022).https://doi.org/10.1002/admi.202200245 .
LibreCat: /record/33685
DOI: 10.1002/admi.202200245

Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CK on the Road to Exascale.” ArXiv:2205.14741, 2022.
LibreCat: /record/32404
arXiv: 2205.14741

Wang, Xia, Ramya Kormath Madam Raghupathy, Christine Joy Querebillo, Zhongquan Liao, Dongqi Li, Kui Lin, Martin Hantusch, et al. “Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions.”https://doi.org/10.1002/adma.202008752__Advanced Materials 33, no. 20 (2021): 2008752.https://doi.org/10.1002/adma.202008752 .
LibreCat: /record/22220
DOI: https://doi.org/10.1002/adma.202008752

Ghasemi, Alireza, Hossein Mirhosseini, and Thomas Kühne. “Thermodynamically Stable Polymorphs of Nitrogen-Rich Carbon Nitrides: A N5 Study.”https://doi.org/10.1039/D0CP06185A__Phys. Chem. Chem. Phys. 23 (2021): 6422–32.https://doi.org/10.1039/D0CP06185A .
LibreCat: /record/29700
DOI: 10.1039/D0CP06185A

Ghasemi, S. Alireza, and Thomas D. Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.”https://doi.org/10.1063/5.0037319__The Journal of Chemical Physics 154, no. 7 (2021): 074107.https://doi.org/10.1063/5.0037319 .
LibreCat: /record/29699
DOI: 10.1063/5.0037319

Ramaswami, Arjun, Tobias Kenter, Thomas Kühne, and Christian Plessl. “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.”https://doi.org/10.1007/978-3-030-79025-7_21__In Applied Reconfigurable Computing. Architectures, Tools, and Applications. Cham: Springer International Publishing, 2021.https://doi.org/10.1007/978-3-030-79025-7_21 .
LibreCat: /record/29936
DOI: 10.1007/978-3-030-79025-7_21

Ojha, Deepak, and Thomas D. Kühne. “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.”https://doi.org/10.3390/molecules25173939__Molecules 25 (2020).https://doi.org/10.3390/molecules25173939 .
LibreCat: /record/19679
DOI: 10.3390/molecules25173939

Kühne, Thomas, Julian Joachim Heske, and Emil Prodan. “Disordered Crystals from First Principles II: Transport Coefficients.”https://doi.org/10.1016/j.aop.2020.168290__Annals of Physics 421 (2020): 168290.https://doi.org/10.1016/j.aop.2020.168290 .
LibreCat: /record/19680
DOI: https://doi.org/10.1016/j.aop.2020.168290

Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.”https://doi.org/10.1080/00268976.2020.1797920__Molecular Physics, 2020, 1–6.https://doi.org/10.1080/00268976.2020.1797920 .
LibreCat: /record/19681
DOI: 10.1080/00268976.2020.1797920

Sahoo, Sudhir K., Julian Joachim Heske, Markus Antonietti, Qing Qin, Martin Oschatz, and Thomas Kühne. “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.”https://doi.org/10.1021/acsaem.0c01740__ACS Applied Energy Materials 3, no. 10 (2020): 10061–69.https://doi.org/10.1021/acsaem.0c01740 .
LibreCat: /record/21239
DOI: 10.1021/acsaem.0c01740

Zhou, Jiaqi, Mohammad Khazaei, Ahmad Ranjbar, Vei Wang, Thomas D. Kühne, Kaoru Ohno, Yoshiyuki Kawazoe, and Yunye Liang. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study.”https://doi.org/10.1039/C9TC06837F__J. Mater. Chem. C 8 (2020): 5211–21.https://doi.org/10.1039/C9TC06837F .
LibreCat: /record/17375
DOI: 10.1039/C9TC06837F

Kumar Sahoo, Sudhir , Julian Joachim Heske, Sam Azadi, Zhenzhehttps://doi.org/10.1038/s41598-020-62638-z__Zhang,https://doi.org/10.1038/s41598-020-62638-z__Nadezdahttps://doi.org/10.1038/s41598-020-62638-z__V  Tarakina, Martinhttps://doi.org/10.1038/s41598-020-62638-z__Oschatz, Rustamhttps://doi.org/10.1038/s41598-020-62638-z__Z. Khaliullin,https://doi.org/10.1038/s41598-020-62638-z__Markushttps://doi.org/10.1038/s41598-020-62638-z__Antonietti, and Thomas Kühne. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.”https://doi.org/10.1038/s41598-020-62638-z__Scientific Reports 10, no. 1 (2020).https://doi.org/10.1038/s41598-020-62638-z .
LibreCat: /record/17379
DOI: 10.1038/s41598-020-62638-z

Elgabarty, Hossam, Tobias Kampfrath, Douwe Jan Bonthuis, Vasileios Balos, Naveen Kumar Kaliannan, Philip Loche, Roland R. Netz, Martin Wolf, Thomas D. K\'2c and Mohsen Sajadi. “Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation.”https://doi.org/10.1126/sciadv.aay7074__Science Advances 6, no. 17 (2020).https://doi.org/10.1126/sciadv.aay7074 .
LibreCat: /record/17381
DOI: 10.1126/sciadv.aay7074

Kühne, Thomas D., Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CK: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.”https://doi.org/10.1063/5.0007045__The Journal of Chemical Physics 152, no. 19 (2020): 194103.https://doi.org/10.1063/5.0007045 .
LibreCat: /record/17386
DOI: 10.1063/5.0007045

Elizabeth, Amala, Sudhir K. Sahoo, David Lockhorn, Alexander Timmer, Nabi Aghdassi, Helmut Zacharias, Thomas Kühne, Susanne Siebentritt, Hossein Mirhosseini, and Harry Mönig. “Oxidation/Reduction Cycles and Their Reversible Effect on the Dipole Formation at CuInSe2 Surfaces.”https://doi.org/10.1103/PhysRevMaterials.4.063401__Phys. Rev. Materials 4 (2020): 063401.https://doi.org/10.1103/PhysRevMaterials.4.063401 .
LibreCat: /record/19844
DOI: 10.1103/PhysRevMaterials.4.063401

Mirhosseini, S. Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo, Hendrik Wiebeler, Manjusha Chugh, and Thomas Kühne. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.”https://doi.org/10.1039/D0CP04712K__Phys. Chem. Chem. Phys. 22 (2020): 26682–701.https://doi.org/10.1039/D0CP04712K .
LibreCat: /record/21112
DOI: 10.1039/D0CP04712K

Yu, Minghao, Naisa Chandrasekhar, Ramya Kormath Madam Raghupathy, Khoa Hoang Ly, Haozhe Zhang, Evgenia Dmitrieva, Chaolun Liang, et al. “A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices.”https://doi.org/10.1021/jacs.0c07992__Journal of the American Chemical Society 142, no. 46 (2020): 19570–78.https://doi.org/10.1021/jacs.0c07992 .
LibreCat: /record/21240
DOI: 10.1021/jacs.0c07992

Ibaceta-Jaña, Josefa, Ruslan Muydinov, Pamela Rosado, Hossein Mirhosseini, Manjusha Chugh, Olga Nazarenko, Dmitry N. Dirin, et al. “Vibrational Dynamics in Lead Halide Hybrid Perovskites Investigated by Raman Spectroscopy.”https://doi.org/10.1039/C9CP06568G__Phys. Chem. Chem. Phys. 22 (2020): 5604–14.https://doi.org/10.1039/C9CP06568G .
LibreCat: /record/17374
DOI: 10.1039/C9CP06568G

Schöppe, Philipp, Sven Schönherr, Manjusha Chugh, Hossein Mirhosseini, Philip Jackson, Roland Wuerz, Maurizio Ritzer, et al. “Revealing the Origin of the Beneficial Effect of Cesium in Highly Efficient Cu(In,Ga)Se2 Solar Cells.”https://doi.org/10.1016/j.nanoen.2020.104622__Nano Energy 71 (2020): 104622.https://doi.org/10.1016/j.nanoen.2020.104622 .
LibreCat: /record/17376
DOI: https://doi.org/10.1016/j.nanoen.2020.104622

Kühne, Thomas, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CK: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.”https://doi.org/10.1063/5.0007045__The Journal of Chemical Physics 152, no. 19 (2020).https://doi.org/10.1063/5.0007045 .
LibreCat: /record/16277
DOI: 10.1063/5.0007045
arXiv: 2003.03868

Lass, Michael, Robert Schade, Thomas Kühne, and Christian Plessl. “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CK.”https://doi.org/10.1109/SC41405.2020.00084__In Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 1127–40. Los Alamitos, CA, USA: IEEE Computer Society, 2020.https://doi.org/10.1109/SC41405.2020.00084 .
LibreCat: /record/16898
DOI: 10.1109/SC41405.2020.00084
arXiv: 2004.10811

Rengaraj, Varadarajan, Michael Lass, Christian Plessl, and Thomas Kühne. “Accurate Sampling with Noisy Forces from Approximate Computing.”https://doi.org/10.3390/computation8020039__Computation 8, no. 2 (2020).https://doi.org/10.3390/computation8020039 .
LibreCat: /record/12878
DOI: 10.3390/computation8020039
arXiv: 1907.08497

Ohto, Tatsuhiko, Mayank Dodia, Jianhang Xu, Sho Imoto, Fujie Tang, Frederik Zysk, Thomas D. Kühne, et al. “Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface.”https://doi.org/10.1021/acs.jpclett.9b01983__The Journal of Physical Chemistry Letters 10 (2019): 4914–19.https://doi.org/10.1021/acs.jpclett.9b01983 .
LibreCat: /record/15738
DOI: 10.1021/acs.jpclett.9b01983

Azadi, Sam, and Thomas D. Kühne. “Unconventional Phase III of High-Pressure Solid Hydrogen.”https://doi.org/10.1103/physrevb.100.155103__Physical Review B 100 (2019): 155103–5.https://doi.org/10.1103/physrevb.100.155103 .
LibreCat: /record/15739
DOI: 10.1103/physrevb.100.155103

Guc, Maxim, Tim Kodalle, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini, Thomas D. Kühne, Ignacio Becerril-Romero, Alejandro Pérez-Rodríguez, Christian A. Kaufmann, and Victor Izquierdo-Roca. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations.”https://doi.org/10.1021/acs.jpcc.9b08781__The Journal of Physical Chemistry C 124 (2019): 1285–91.https://doi.org/10.1021/acs.jpcc.9b08781 .
LibreCat: /record/15740
DOI: 10.1021/acs.jpcc.9b08781

Müller, Patrick, Adam Neuba, Ulrich Flörke, Gerald Henkel, Thomas D. Kühne, and Matthias Bauer. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2 Complexes.”https://doi.org/10.1021/acs.jpca.9b00463__The Journal of Physical Chemistry A, 2019, 3575–81.https://doi.org/10.1021/acs.jpca.9b00463 .
LibreCat: /record/16320
DOI: 10.1021/acs.jpca.9b00463

Müller, Patrick.   Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müllerf; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]. Paderborn, 2019.https://doi.org/10.17619/UNIPB/1-705 .
LibreCat: /record/16327
DOI: 10.17619/UNIPB/1-705

Kodalle, Tim, Ramya Kormath Madam Raghupathy, Tobias Bertram, Natalia Maticiuc, Hasan A Yetkin, René Gunder, Rutger Schlatmann, Thomas D Kühne, Christian A Kaufmann, and Hossein Mirhosseini. “Properties of Co-Evaporated RbInSe2 Thin Films.”https://doi.org/10.1002/pssr.201800564__Physica Status Solidi (RRL)--Rapid Research Letters 13, no. 3 (2019): 1800564.https://doi.org/10.1002/pssr.201800564 .
LibreCat: /record/13211
DOI: 10.1002/pssr.201800564

Clark, Timothy, Julian Joachim Heske, and Thomas Kühne. “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in O and O.”https://doi.org/10.1002/cphc.201900839__ChemPhysChem 20, no. 0 (2019): 1–6.https://doi.org/10.1002/cphc.201900839 .
LibreCat: /record/13225
DOI: 10.1002/cphc.201900839

Kaliannan, Naveen Kumar , Andres Henao Aristizabal, Hendrik Wiebeler, Frederik Zysk, Tatsuhiko Ohto, Yuki Nagata, and Thomas D. Kühne. “Impact of Intermolecular Vibrational Coupling Effects on the Sum-Frequency Generation Spectra of the Water/Air Interface.”https://doi.org/10.1080/00268976.2019.1620358__Molecular Physics 0, no. 0 (2019): 1–10.https://doi.org/10.1080/00268976.2019.1620358 .
LibreCat: /record/13232
DOI: 10.1080/00268976.2019.1620358

Müller, Patrick, Adam Neuba, Ulrich Flörke, Gerald Henkel, Thomas D. Kühne, and Matthias Bauer. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2 Complexes.”https://doi.org/10.1021/acs.jpca.9b00463__The Journal of Physical Chemistry A 123, no. 16 (2019): 3575–81.https://doi.org/10.1021/acs.jpca.9b00463 .
LibreCat: /record/13233
DOI: 10.1021/acs.jpca.9b00463

Walczak, Ralf, Aleksandr Savateev, Julian Joachim Heske, Nadezda V. Tarakina, Sudhir Sahoo, Jan D. Epping, Thomas Kühne, Bogdan Kurpil, Markus Antonietti, and Martin Oschatz. “Controlling the Strength of Interaction between Carbon Dioxide and Nitrogen-Rich Carbon Materials by Molecular Design.”https://doi.org/10.1039/C9SE00486F__Sustainable Energy Fuels, 2019.https://doi.org/10.1039/C9SE00486F .
LibreCat: /record/13236
DOI: 10.1039/C9SE00486F

Elgabarty, Hossam, Naveen Kumar Kaliannan, and Thomas D. Kühne. “Enhancement of the Asymmetry in the Hydrogen Bond Network of Liquid Water by an Ultrafast Electric Field Pulse.”https://doi.org/10.1038/s41598-019-46449-5__Scientific Reports 9 (2019): 10002.https://doi.org/10.1038/s41598-019-46449-5 .
LibreCat: /record/13237
DOI: 10.1038/s41598-019-46449-5

Chugh, Manjusha,https://doi.org/10.1021/acsami.9b02158__Thomas D. Kühne, and Hossein Mirhosseini. “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries.”https://doi.org/10.1021/acsami.9b02158__ACS Applied Materials &; Interfaces 11, no. 16 (2019): 1482114829.https://doi.org/10.1021/acsami.9b02158 .
LibreCat: /record/13230
DOI: 10.1021/acsami.9b02158

Richters, Dorothee, Michael Lass, Andrea Walther, Christian Plessl, and Thomas Kühne. “A General Algorithm to Calculate the Inverse Principal P-Th Root of Symmetric Positive Definite Matrices.”https://doi.org/10.4208/cicp.OA-2018-0053__Communications in Computational Physics 25, no. 2 (2019): 564–85.https://doi.org/10.4208/cicp.OA-2018-0053 .
LibreCat: /record/21
DOI: 10.4208/cicp.OA-2018-0053
arXiv: 1703.02456

Lass, Michael, Thomas Kühne, and Christian Plessl. “Using Approximate Computing for the Calculation of Inverse Matrix P-Th Roots.”https://doi.org/10.1109/LES.2017.2760923__Embedded Systems Letters 10, no. 2 (2018): 33–36.https://doi.org/10.1109/LES.2017.2760923 .
LibreCat: /record/20
DOI: 10.1109/LES.2017.2760923
arXiv: 1703.02283

Sahoo, Sudhir, Ramya Kormath Madam Raghupathy, Thomas Kühne, and Hossein Mirhosseini. “Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water.”https://doi.org/10.1021/acs.jpcc.8b06709__J. Phys. Chem. C 122, no. 37 (2018): 21202–9.https://doi.org/10.1021/acs.jpcc.8b06709 .
LibreCat: /record/13209
DOI: 10.1021/acs.jpcc.8b06709

Kormath Madam Raghupathy, Ramya, Hendrik Wiebeler, Thomas Kühne, Claudia Felser, and Hossein Mirhosseini. “Database Screening of Ternary Chalcogenides for P-Type Transparent Conductors.”https://doi.org/10.1021/acs.chemmater.8b02719__Chemistry of Materials 30, no. 19 (2018): 6794–6800.https://doi.org/10.1021/acs.chemmater.8b02719 .
LibreCat: /record/13210
DOI: 10.1021/acs.chemmater.8b02719

Müller, Patrick, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, and Thomas D. Kühne. “Impact of Finite-Temperature and Condensed-Phase Effects on Theoretical X-Ray Absorption Spectra of Transition Metal Complexes.”https://doi.org/10.1002/jcc.25641__Journal of Computational Chemistry, 2018, 712–16.https://doi.org/10.1002/jcc.25641 .
LibreCat: /record/13405
DOI: 10.1002/jcc.25641

Lass, Michael, Stephan Mohr, Hendrik Wiebeler, Thomas Kühne, and Christian Plessl. “A Massively Parallel Algorithm for the Approximate Calculation of Inverse P-Th Roots of Large Sparse Matrices.”https://doi.org/10.1145/3218176.3218231__In Proc. Platform for Advanced Scientific Computing (PASC) Conference. New York, NY, USA: ACM, 2018.https://doi.org/10.1145/3218176.3218231 .
LibreCat: /record/1590
DOI: 10.1145/3218176.3218231
arXiv: 1710.10899

Lücke, Andreas, Uwe Gerstmann, Thomas D. Kühne, and Wolf G. Schmidt. “Efficient PAW-Based Bond Strength Analysis for Understanding the In/Si(111)(8 × 2) – (4 × 1) Phase Transition.”https://doi.org/10.1002/jcc.24878__Journal of Computational Chemistry 38, no. 26 (2017): 2276–82.https://doi.org/10.1002/jcc.24878 .
LibreCat: /record/13238
DOI: 10.1002/jcc.24878

Azadi,https://doi.org/10.1063/1.4976836__Sam , and Thomas D. Kühne. “High-Pressure Hydrogen Sulfide by Diffusion Quantum Monte Carlo.”https://doi.org/10.1063/1.4976836__The Journal of Chemical Physics 146, no. 8 (2017): 084503.https://doi.org/10.1063/1.4976836 .
LibreCat: /record/13239
DOI: 10.1063/1.4976836

Lücke, Andreas, Uwe Gerstmann, Thomas D. Kühne, and Wolf Gero Schmidt. “Efficient PAW-Based Bond Strength Analysis for Understanding the In/Si(111)(8 × 2) - (4 × 1) Phase Transition.”https://doi.org/10.1002/jcc.24878__Journal of Computational Chemistry, 2017, 2276–82.https://doi.org/10.1002/jcc.24878 .
LibreCat: /record/13417
DOI: 10.1002/jcc.24878

Zimmer, Peter, Patrick Müller, Lukas Burkhardt, Rahel Schepper, Adam Neuba, Jakob Steube, Fabian Dietrich, et al. “N-Heterocyclic Carbene Complexes of Iron as Photosensitizers for Light-Induced Water Reduction.”https://doi.org/10.1002/ejic.201700064__European Journal of Inorganic Chemistry, 2017, 1504–9.https://doi.org/10.1002/ejic.201700064 .
LibreCat: /record/16319
DOI: 10.1002/ejic.201700064

Partovi-Azar, Pouya, Matthias Berg, Simone Sanna, and Thomas D. Kühne. “Improved Parameterization of the Quantum Harmonic Oscillator Model Based on Localized Wannier Functions to Describe Van Der Waals Interactions in Density Functional Theory.”https://doi.org/10.1002/qua.25150__International Journal of Quantum Chemistry 116, no. 15 (2016): 1160–65.https://doi.org/10.1002/qua.25150 .
LibreCat: /record/13240
DOI: 10.1002/qua.25150

Köster, Andreas, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, and Thomas D. Kühne. “Assessing the Accuracy of Improved Force-Matched Water Models Derived from Ab Initio Molecular Dynamics Simulations.”https://doi.org/10.1002/jcc.24398__Journal of Computational Chemistry 37, no. 19 (2016): 1828–38.https://doi.org/10.1002/jcc.24398 .
LibreCat: /record/13241
DOI: 10.1002/jcc.24398

John, Christopher, Thomas Spura, and Thomas D. Kühne. “Quantum Ring-Polymer Contraction Method: Including Nuclear Quantum Effects at No Additional Computational Cost in Comparison to Ab Initio Molecular Dynamics.” Phys. Rev. E 93 (2016).
LibreCat: /record/45766

Lass, Michael, Thomas Kühne, and Christian Plessl. “Using Approximate Computing in Scientific Codes.” In Workshop on Approximate Computing (AC), 2016.
LibreCat: /record/25

Elgabarty, Hossam, Rustam Z. Khaliullin, and Thomas D. Kühne. “Covalency of Hydrogen Bonds in Liquid Water Can Be Probed by Proton Nuclear Magnetic Resonance Experiments.”https://doi.org/10.1038/ncomms9318__Nature Communications 6, no. 1 (2015).https://doi.org/10.1038/ncomms9318 .
LibreCat: /record/34310
DOI: 10.1038/ncomms9318