Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization. [PDF]
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Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges Model. [PDF]
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From Molecular Interactions to Nanocarrier Design: Coarse-Grained Modeling of PEG Self-Assembly and Hindsiilactone Encapsulation. [PDF]
J Phys Chem BHo TH, Tong HD, Wilhelmsen Ø, Trinh TT.
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Multicomponent Double-Hybrid Density Functional Theory. [PDF]
J Chem Theory ComputHasecke L, Mata RA.
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CHIPS-TB: Evaluating Tight-Binding Models for Metals, Semiconductors, and Insulators. [PDF]
J Phys Chem C Nanomater InterfacesPark IJ, Choudhary K.
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Towards tailored and adaptive wireless multi-hop routing protocols [PDF]
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MA(R/S)TINI 3: An Enhanced Coarse-Grained Force Field for Accurate Modeling of Cyclic Peptide Self-Assembly and Membrane Interactions. [PDF]
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A Data-Driven Gaussian Process Regression Model for Concrete Complex Dielectric Permittivity Characterization. [PDF]
Sensors (Basel)Angiulli G +3 more
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Importance of a Systematic Intervertebral Motion Parametrization for in vivo Assessment of Spine Biomechanics. [PDF]
Ann Biomed EngErb FA +5 more
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Impact of Parametrizations of the One-Body Reduced Density Matrix on the Energy Landscape. [PDF]
J Phys Chem LettCartier NG, Giesbertz KJH.
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