top of page

We offer:
Undergrad Research
Internships
Master theses
PhD theses
Postdoc research

Nonequilibrium kinetics and dynamics

THE KUBIS GROUP
ELMORE FAMILY SCHOOL OF ELECTRICAL AND COMPUTER ENGINEERING
PURDUE UNIVERSITY

Semiconductor Modeling, Computational Nanotechnology, Quantum Chemistry, and Many Particle Physics

Method Development, High Performance Code Implementation, and Device Design

Recent research highlights
Graphene_disc.png

Material research

DFTB_surface_edited_edited.jpg

Quantum chemistry in liquids

CasTFET.jpg

New transistor concepts

Until 2020, all atomistic material models assume periodic atom distributions. Our new method, ROBIN, allows modeling nonidealized situations. First results show dramatic differences in the material properties.

Team:

James Charles

Han-Wei Hsiao

The downscaling of nanotransistors requires overcoming fundamental limits of traditional field effect transistor designs.

One example is the cascade field effect transistor that combines quantum cascade laser switching effects with field effect transistors.

Team:

Daniel Lemus

James Charles

Quantum models of molecules in solutions typically assume only a small amount of solvent information.

We show the explicit inclusion of 1000s of solvent molecules is critical to accurately predict chemical reactions - in particular in microdroplets.

Team:

Namita Narendra

James Charles

Jinying Wang

Research projects

UNLOCKING THE POWER OF QUANTUM TRANSPORT METHODS

DNA_UV_mutation.svg.png

Self-disinfecting surfaces

Surface coating with wide band gap 2D materials can emit germ killing UVC light 

Team:

Jinying Wang

KuanChung Wang

James Charles

Yuanchen Chu

numerics2.png

HIGH PERFORMANCE COMPUTING

Nonequilibrium Green's function calculations create immense numerical load. Its implementation has to scale to the size of world-largest supercomputers.

Team:

Xinchen Guo

NLRGF_edited.png

NEW RECURSIVE GREEN'S FUNCTION METHODS

Atomically resolved Green's functions have to be solved within the RGF method. RGF is expanded to support nonlocal scattering.

Team:

James Charles

scattering.png

INCOHERENT SCATTERING IN NANODEVICES

Covering incoherent scattering accurately is one of the core challenges of quantum transport.

Team:

Prasad Sarangapani

Yuanchen Chu

James Charles

LRA_picture.png

LOW RANK APPROXIMATIONS IN QUANTUM TRANSPORT

The numerical load of the nonequilibrium Green's function method can be dramatically reduced with low rank approximations. When chosen carefully, the predictive power of NEGF is preserved.

Team:

Daniel Lemus

2D materials.png

REPRESENTING NOVEL MATERIALS

Spearhead experimental research involves a growing number of unstudied materials. Each new material and material combination needs careful parameterizations.

Team:

Daniel Valencia

KuangChung Wang

Prasad Sarangapani

grahene.png

2D MATERIALS AND DEVICES

Devices composed of atomically thin materials are an rapidly emerging research field. 

Team:

KuangChung Wang

Daniel Valencia

gui_picture_edited.png

HUMAN/MACHINE INTERFACES

Controlling a multiphysics code, setting up atomically resolved devices, visualization of multidimensional results pose challenges to human-machine interfaces.

Team:

Daniel Mejia

heat_picture.png

HEAT TRANSPORT IN NANODEVICES

Modern nanodevices generate extremely high heat densities. Optimizing the heat flow is increasingly important for nanodevice design.

Team:

Yuanchen Chu

molecule.png

MOLECULES IN DYNAMIC ENVIRONMENTS

Quantum models of molecules have to include interaction with the dynamic environment.

Team:

James Charles

Yuanchen Chu

LED_picture.png

LIGHT EMITTING DIODES

Light emitting diodes face challenges such as the performance droop and inaccessible UV-frequencies.

Team:

KuangChung Wang

Prasad Sarangapani

BTBT_picture.png

BAND MIXING DEVICES

Tunneling field effect transistors are candidates for next generation logic devices

Team:

Prasad Sarangapani

Yuanchen Chu

T33tkubis_InAsoberfl.jpg

NEW APPLICATIONS COMING...

The nonequilibrium Green's function method is the most general many particle method as of today. Many particle problems can be found in every aspect of nature.

Team:

<Your name?>

IMG_7953_edited.jpg
Contact Us

Your details were sent successfully!

bottom of page