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Manuel Sparta

Manuel Sparta

Senior Researcher

masp@norceresearch.no
+47 920 39 512
Universitetsveien 19, 4630 Kristiansand, Norway

Manuel Sparta is a senior scientist in the Modeling and Simulation group. He holds a Ph.D. in Computational Chemistry from the University of Bergen. He is engaged in the Multiphysics simulations of various production processes and modeling of electrical conditions and process interactions in high temperature metallurgical reactors.

Manuel Sparta

Division

Energy & Technology

Research themes

Metallurgy

Research Groups

Modellering og simulering

More information about Manuel Sparta

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Publications
Mathematical models for electromagnetic conditions in submerged arc furnaces – Progress in industrial mathematics at ECMI 2022
Large Electrode Movements: Realistic Electrical Crater Models – Proceedings of the Silicon for the Chemical & Solar Industry XVI 2022
Electrical Conditions in Submerged Arc Furnaces: A Web-Based Simulator – Proceedings of the Silicon for the Chemical & Solar Industry XVI 2022
Electrical conditions in 3-phase submerged arc furnaces: learning from the ElMet project – Social Science Research Network (SSRN) 2021
Metamodeling of the electrical conditions in submerged arc furnaces – Social Science Research Network (SSRN) 2021
Effects of alternating currents in the hearth of submerged arc furnaces – Social Science Research Network (SSRN) 2021
An Overall Furnace Model for the Silicomanganese Process – JOM 2021
Metamodeling of the Electrical Conditions in Submerged Arc Furnaces – Metallurgical and Materials Transactions B 2021
Skin and Proximity Effects in Electrodes and Furnace Shells – Metallurgical and Materials Transactions B 2019
3D models of proximity effects in large FeSi and FeMn furnaces – The Southern African Journal of Mining and Metallurgy 2018
Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory – Journal of Chemical Theory and Computation 2018
Multilevel Approaches within the Local Pair Natural Orbital Framework – Journal of Chemical Theory and Computation 2017
GRANULAR FLOW DESCRIBED BY FICTITIOUS FLUIDS: A SUITABLE METHODOLOGY FOR PROCESS SIMULATIONS – 2017
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework – Journal of Chemical Theory and Computation 2016
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory – Journal of Chemical Theory and Computation 2015
Chemical applications carried out by local pair natural orbital based coupled-cluster methods – Chemical Society Reviews 2014
Mechanism of Olefin Asymmetric Hydrogenation Catalyzed by Iridium Phosphino-Oxazoline: A Pair Natural Orbital Coupled Cluster Study – Journal of Chemical Theory and Computation 2014
Metal-Dependent Activity of Fe and Ni Acireductone Dioxygenases: How Two Electrons Reroute the Catalytic Pathway – Journal of Molecular Biology (JMB) 2013
IR, Raman and SERS spectra of propantheline bromide – Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy 2013
The Role of the Flexible L43-S54 Protein Loop in the CcrA Metallo-β-lactamase in Binding Structurally Dissimilar β-Lactam Antibiotics – Journal of Chemical Theory and Computation 2013
Accurate metal-ligand bond energies in the (2)-C2H4 and (2)-C-60 complexes of Pt(PH3)(2), with application to their Bis(triphenylphosphine) analogues – Molecular Physics 2013
How Metal Substitution Affects the Enzymatic Activity of Catechol-O-Methyltransferase – PLOS ONE 2012
Hybrid Dynamics Simulation Engine for Metalloproteins – Biophysical Journal 2012
B13+: A Photodriven Molecular Wankel Engine – Angewandte Chemie International Edition 2012
Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F−(H2O) complex – Chemical Physics Letters 2011
Computational design and characterisation of artificial enzymes for Kemp elimination – Molecular Simulation 2011
Accurate multimode vibrational calculations using a B-spline basis: theory, tests and application to dioxirane and diazirinone – Molecular Physics 2011
Vibrational coupled cluster response theory: A general implementation – Journal of Chemical Physics 2011
Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations – Journal of Chemical Theory and Computation 2010
New formulation and implementation of vibrational self-consistent field theory – Journal of Chemical Theory and Computation 2009
An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules – Theoretical Chemistry Accounts 2009
Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory – Journal of the American Chemical Society 2007
A priori complete active space self consistent field localized orbitals: an application on linear polyenes – Molecular Physics 2006
Structure and stability of substitutional metallofullerenes of the first-row transition metals – Fullerenes, nanotubes, and carbon nanostructures 2006
Structure and stability of networked metallofullerenes of the transition metals – Journal of Physical Chemistry A 2006
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