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MPQC

Known as: Massively Parallel Quantum Chemistry 
MPQC (Massively Parallel Quantum Chemistry) is an ab initio computational chemistry software program. Three features distinguish it from other… 
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Related topics

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17 relations
Ab initio quantum chemistry methodsC++Computational chemistryDebian

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2018
2018
Exploration of Reduced Scaling Formulation of Equation of Motion Coupled-Cluster Singles and Doubles Based on State-Averaged Pair Natural Orbitals
A reduced-complexity variant of equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) method is formulated in terms… 
2016
2016
MPQC: Secure Authentication for Message Passing Via Quantum Cryptography
— This article presents a classification and system of modern quantum technology of information security in Wireless Sensor… 
2015
2015
Development of massively parallel quantum chemistry program SMASH
A massively parallel program for quantum chemistry calculations SMASH was released under the Apache License 2.0 in September 2014… 
2015
2015
A multifunctional power quality controller for microgrid
Microgrid power quality has some unique features (harmonic high penetration, frequent voltage fluctuation, overcurrent phenomenon… 
2013
2013
Power Quality Conditioner for Microgrid
In this paper, a power quality (PQ) conditioner for microgrid is presented. The main inverter which is associated with… 
2013
2013
Accurate Numerical Simulations Of Chemical Phenomena Involved in Energy Production and Storage with MADNESS and MPQC: ALCF-2 Early Science Program Technical Report
2012
2012
Refactoring and automated performance tuning of computational chemistry application codes
Computational chemistry codes such as GAMESS and MPQC have been under development for several years and are constantly evolving… 
Review
2011
Review
2011
Analysis of Diamondoid Mechanosynthesis Tooltip Pathologies Generated via a Distributed Computing Approach
The results of a combined molecular dynamics/quantum chemistry pathology study of previously reported organic (diamondoid… 
2009
2009
A novel Multilevel Power Quality Compensator for electrified railway
Connected to high-voltage power system directly, electrified railway is a particular user to power system, and its loads have the… 
2008
2008
ANALYSIS OF EXECUTION TIME AND ITS COMPONENTS IN PARALLEL ESTIMATION OF ADDITIVE RELATIONSHIP COEFFICIENTS
Real execution time changed from ca. 13500s to ca. 2500s (2800s*), total CPU time - from ca. 13400s to ca. 18400s (20500s*), Real… 
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