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ACS Nano|August 9, 2011
Nanoscale surface pattern evolution in heteroepitaxial bimetallic filmsNasser Mohieddin Abukhdeir, Dionisios G VlachosPhysical Chemistry Chemical Physics : PCCP|March 13, 2023
Transition-state correlations for predicting thermochemistry of adsorbates and surface reactionsSophia J Kurdziel, Dionisios G VlachosThe Journal of Physical Chemistry. B|February 24, 2006
Silica nanoparticle formation in the TPAOH-TEOS-H2O system: a population balance modelJohn L Provis, Dionisios G VlachosACS Nano|November 16, 2020
Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine LearningJoshua L Lansford, Dionisios G VlachosNature Communications|April 7, 2020
Infrared spectroscopy data- and physics-driven machine learning for characterizing surface microstructure of complex materialsJoshua L Lansford, Dionisios G VlachosJournal of Chemical Information and Modeling|June 23, 2025
Distance-Aware Molecular Property Prediction in Nonlinear Structure-Property SpaceJae Young Kim, Dionisios G VlachosThe Journal of Physical Chemistry. A|July 12, 2011
Hybrid quantum mechanics/molecular mechanics-based molecular dynamics simulation of acid-catalyzed dehydration of polyols in liquid waterStavros Caratzoulas, Timothy Courtney, Dionisios G VlachosJournal of Chemical Information and Modeling|May 17, 2023
OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic ReactionsBharat Medasani, Sashank Kasiraju, Dionisios G VlachosNano Letters|August 20, 2010
What controls au nanoparticle dispersity during growth?Giannis Mpourmpakis, Stavros Caratzoulas, Dionisios G VlachosScientific Reports|July 14, 2021
Regularized machine learning on molecular graph model explains systematic error in DFT enthalpiesHimaghna Bhattacharjee, Nikolaos Anesiadis, Dionisios G VlachosPageof 17