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Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 28, 2017
Tuning the work function of stepped metal surfaces by adsorption of organic moleculesYingda Jiang, Jingtai Li, Guirong Su, et al.Nature Communications|May 21, 2024
Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptorsMiguel Gallegos, Valentin Vassilev-Galindo, Igor Poltavsky, et al.Journal of Molecular Biology|December 11, 2020
Predictive QM/MM Modeling of Modulations in Protein-Protein Binding by Lysine MethylationSanim Rahman, Vered Wineman-Fisher, Yasmine Al-Hamdani, et al.Journal of the American Chemical Society|December 29, 2017
Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111)Aliaksandr V Yakutovich, Johannes Hoja, Daniele Passerone, et al.Nature Communications|January 9, 2021
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materialsMartin Stöhr, Mainak Sadhukhan, Yasmine S Al-Hamdani, et al.Physical Review Letters|September 27, 2017
Strong Local-Field Enhancement of the Nonlinear Soft-Mode Response in a Molecular CrystalGiulia Folpini, Klaus Reimann, Michael Woerner, et al.ACS Nano|November 12, 2025
Many-Body Description of van der Waals Torque in Two-Dimensional MaterialsZepu Kou, Yuquan Zhou, Zonghuiyi Jiang, et al.Journal of Chemical Theory and Computation|March 5, 2019
Ion-Hydroxyl Interactions: From High-Level Quantum Benchmarks to Transferable Polarizable Force FieldsVered Wineman-Fisher, Yasmine Al-Hamdani, Iqbal Addou, et al.The Journal of Chemical Physics|March 24, 2019
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forcesHuziel E Sauceda, Stefan Chmiela, Igor Poltavsky, et al.Nature Communications|January 10, 2017
Quantum-chemical insights from deep tensor neural networksKristof T Schütt, Farhad Arbabzadah, Stefan Chmiela, et al.Pageof 21