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QUANTUM MULTISCALE

Speakers

​Dustin Broderick

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​Saswata Dasgupta

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Saswata Dasgupta obtained his PhD from Ohio State University. His field of expertise includes DFT method development and many-body QM/MM methods.

​Alexander Humeniuk

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Alexander Humeniuk obtained his PhD at the University of Würzburg / Freie Universität Berlin. He developes electronic structure methods for ground and excited states. His field of expertise includes non-adiabatic and semiclassical molecular dynamics, simulation of ultrafast time-resolved spectroscopy experiments, and prediction of photophysical properties of small molecules. 

​Jorge Nochebuena

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Jorge Nochebuena obtained his PhD from the Universidad Autonoma Metropolitana-Itztapalapa Mexico. He is currently developing QM/MM methods that use polarizable force fields.

​Amiel Paz

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Amiel Paz is a graduate student of New York University in Shanghai. His expertise is in electronic structure methods for scalable and stable non-adiabatic ab initio excited-state molecular dynamics for photochemistry in the condensed phase. 

​Xuecheng Shao

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Xuecheng Shao obtained his PhD from Jilin University in China. He is an active developer of multi-scale modeling software in Python such as DFTpy, eDFTpy, and QEpy. His field of expertise includes Orbital-free DFT, density embedding / subsystem DFT and now also QM/MM.​

​Andres Urbina

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Andres Urbina obtained his PhD from Purdue University. He is working on protein-ligand interactions. Specifically, exploring GPCR-ligand interactions using the effective fragment potential (EFP) method.
We are grateful to the following sponsors
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