Dezhao-Huang

Lammps-shear-viscosity-calculation

This repository contains the lammps custom script to calculate the shear viscosity using the Couette flow and the Green-Kubo relationship.

time_series_transformer_tf2

A tensrflow 2 transformer nerual network working with time series data.

transformer

Implementation of Transformer model (originally from Attention is All You Need) applied to Time Series.

Hot-Brownian-Motion

relevant lammps scripts and data for the publication

lammps

Public development project of the LAMMPS MD software package

starter-academic

awsemmd

Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code

cbe67701-uncertainty-quantification

Summer 2020 reading group on uncertainty quantification

compute_fep

Free energy perturbation in LAMMPS.

cv

:page_facing_up: My CV

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

Dezhao-Personal-Website

fftool

Tool to build force field input files for molecular simulation.

fluid-engine-dev

Fluid simulation engine for computer graphics applications

gluon-ts

Probabilistic time series modeling in Python

hetseq

HetSeq: Distributed GPU Training on Heterogeneous Infrastructure

LAMMPS_Self_Assembly_Nanoparticles

Physics-Based-Deep-Learning

Links to works on deep learning algorithms for physics problems, TUM-I15 and beyond

polymer_metal_interface

Provides some useful information and the LAMMPS input files to model a polymer-metal interface.

Python_IISc_SIAM_2020

stock_prediction

Pytorch implentation of stock prediction via LSTMs

USER-3SPN2

Coarse-grained molecular model of DNA (LAMMPS plugin)

WorkshopHackathon2018

Materials, issues and things for the 2018 Workshop and Hackathon