P. Korambath

发表

Advances in methods and algorithms in a modern quantum chemistry program package.

Shawn T. Brown, Andrew C. Simmonett, R. D. Adamson, 2006, Physical chemistry chemical physics : PCCP.

Smart Manufacturing.

T. Edgar, P. Korambath, Jim Davis, 2015, Annual review of chemical and biomolecular engineering.

The effect of near-interface network strain on proton trapping in SiO/sub 2/

D. Fleetwood, S. Karna, P. Korambath, 1999 .

Ab initio molecular orbital theory study of GaAs clusters: The geometry

S. Karna, P. Korambath, B. Singaraju, 2000 .

Cyberinfrastructure for the democratization of smart manufacturing

James F. Davis, P. Korambath, J. Dyck, 2020, Smart Manufacturing.

Industrial Scale Demonstration of Smart Manufacturing, Achieving Transformational Energy Productivity Gains

Michael Baldea, Thomas F. Edgar, Panagiotis D. Christofides, 2018 .

Digitalization of an Experimental Electrochemical Reactor via the Smart Manufacturing Innovation Platform

James F. Davis, P. Christofides, P. Korambath, 2022, Digital Chemical Engineering.

Infrared spectra, photochemistry, and ab initio calculations of matrix isolated methanethiol/sulfur dioxide complex

P. Korambath, H. Kurtz, S. Li, 2000 .

Q‐Chem 2.0: a high‐performance ab initio electronic structure program package

Jon Baker, Manabu Oumi, Christian Ochsenfeld, 2000, J. Comput. Chem..

Implementing the Transformation of Discrete Part Manufacturing Systems Into Smart Manufacturing Platforms

Satish T. S. Bukkapatnam, Zimo Wang, Natarajan Gautam, 2018, Volume 3: Manufacturing Equipment and Systems.

A Smart Manufacturing Use Case: Furnace Temperature Balancing in Steam Methane Reforming Process via Kepler Workflows

Michael Baldea, Jianwu Wang, Brian Schott, 2016, ICCS.

Q-Chem 2.0: a high-performance ab initio electronic structure program package

Weimin Zhang, Arieh Warshel, So Hirata, 2000, J. Comput. Chem..

Facilitating e-Science Discovery Using Scientific Workflows on the Grid

Jianwu Wang, Daniel Crawl, Ilkay Altintas, 2011, Guide to e-Science.

Theoretical enzyme design using the Kepler scientific workflows on the Grid

Jianwu Wang, Daniel Crawl, Ilkay Altintas, 2010, ICCS.

Parallelization of analytical Hartree—Fock and density functional theory Hessian calculations. Part I: parallelization of coupled-perturbed Hartree—Fock equations

Thomas R. Furlani, Prakashan P. Korambath, Martin Head-Gordon, 2002 .

High resolution electronic spectroscopy of Kr⋅OH/D and an empirical potential energy surface

E. F. Hayes, Hee-Seung Lee, C. Carter, 1999 .

(Hyper)polarizabilities of GaN, GaP, and GaAs Clusters: An Ab Initio Time-Dependent Hartree-Fock Study †

S. Karna, P. Korambath, 2000 .

The Integration of AJAX, Interactive X Windows Applications and Application Input Generation into the UCLA Grid Portal

Joan Slottow, Prakashan Korambath, Kejian Jin, 2007 .

Computation of Rovibrational Eigenvalues of van der Waals Molecules on a CRAY T3D

E. F. Hayes, D. Sorensen, P. Korambath, 1997 .

Use of On-Demand Cloud Services to Model the Optimization of an Austenitization Furnace

Jianwu Wang, Michael Baldea, James F. Davis, 2018, Smart and Sustainable Manufacturing Systems.

ENHANCED METHOD FOR DETERMINING ROVIBRATIONAL EIGENSTATES OF VAN DER WAALS MOLECULES

E. F. Hayes, P. Korambath, Xudong Wu, 1996 .

Workflow as a Service in the Cloud: Architecture and Scheduling Algorithms

Jianwu Wang, Daniel Crawl, Ilkay Altintas, 2014, ICCS.

Smart manufacturing inspired approach to research, development, and scale-up of electrified chemical manufacturing systems

James F. Davis, P. Christofides, P. Korambath, 2023, iScience.

Recent Advances in ab initio time—dependent Hartree-Fock theory and their applications to predict nonlinear optical properties of semiconductor nanoclusters

S. Karna, P. Korambath, 1999 .

Concurrent write MPI / IO benchmarks on File Systems

P. Korambath, 2012 .

Empirical potential energy surface for Ar⋅SH/D and Kr⋅SH/D

E. F. Hayes, C. Carter, P. Korambath, 1997 .