Jiahao Chen

121 Seguidores

35 SlideShares 121 Seguidores 93 Seguindos

qtpie mechanics model julia molecular field force charge fluctuating programming languages talk termproject python groupmeeting uiuc scientific computing classical visualization vtk conicalintersections mathematics linear algebra genomics technical computing multiple dispatch random matrix theory mm forcefield postdoc spawn fms moleculardynamics abinitio klausschulten statistical chargetransfer nonequilibrium poster water molecularmechanics polarizable vector math computer history analytics principal components genotype data graph algorithms evolving graphs organic semiconductors open source american physical society free probability numpy scipy quantum chemistry pchem rydberg us singapore multithreading openmp optimization tinker undergraduate classproject localization dynamical microwave litsem chemistry

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Jiahao Chen

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QTPIE: A fluctuating-charge model for molecular systems with correct asymptotics

this talk has only three equations

Constructing a rigorous fluctuating-charge model for molecular mechanics

QTPIE: A new charge model for arbitrary geometries and systems

Representing molecules as atomic-scale electrical circuits with fluctuating-charge models

Polarization and charge transfer in classical molecular dynamics

QTPIE and water (Part 2)

QTPIE and water (Part 1)

The Visualization Toolkit (VTK) and why you might care about it

Methods for computing partial charges

Molecular models, threads and you

Excitation Energy Transfer In Photosynthetic Membranes

Dynamical localization in the microwave ionization of Rydberg atoms

Fluctuating-charge models: theory and applications

Excitation Energy Transfer In Photosynthetic Membranes

Theory and application of fluctuating-charge models

A brief introduction to Hartree-Fock and TDDFT

Resolving the dissociation catastrophe in fluctuating-charge models

Group meeting 3/11 - sticky electrons

Python as number crunching code glue

What's next in Julia

Julia: compiler and community

Technical computing in Julia

An introduction to Julia

Understanding ECG signals in the MIMIC II database

Julia: Multimethods for abstraction and performance

A Julia package for iterative SVDs with applications to genomics data analysis

Julia? why a new language, an an application to genomics data analysis

Julia, genomics data and their principal components

Documentos

ACTC 2011 poster

Gostaram

Notes from Coursera Deep Learning courses by Andrew Ng

File Format Benchmarks - Avro, JSON, ORC, & Parquet

Pixar's 22 Rules to Phenomenal Storytelling

Publish Your Papers In The Top Scientific Journals

Taking Your Slide Deck to the Next Level