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RxFF Consulting, LLC | ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting

RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. Multi-processor ReaxFF MD-simulation on the silicon carbide oxidation at T=2000K (Newsome, D. Sengupta, D. Foroutan, H. Russo, M. F. van Duin, A. C. T. Journal of Physical Chemistry 2012, 116, 16111.). ReaxFF/ADF simulation(8 processors) on hexane cracking in a ZSM5-zeolite loaded with Fe-13 metal clusters (Joshi, K. van Duin, A. C. T. Energy and Fuels 2013, 27, 4481.). ReaxFF energy minimization on a...

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RxFF Consulting, LLC | ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting | rxffconsulting.com Reviews

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RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. Multi-processor ReaxFF MD-simulation on the silicon carbide oxidation at T=2000K (Newsome, D. Sengupta, D. Foroutan, H. Russo, M. F. van Duin, A. C. T. Journal of Physical Chemistry 2012, 116, 16111.). ReaxFF/ADF simulation(8 processors) on hexane cracking in a ZSM5-zeolite loaded with Fe-13 metal clusters (Joshi, K. van Duin, A. C. T. Energy and Fuels 2013, 27, 4481.). ReaxFF energy minimization on a...

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RxFF Consulting, LLC | ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting | rxffconsulting.com Reviews

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RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. Multi-processor ReaxFF MD-simulation on the silicon carbide oxidation at T=2000K (Newsome, D. Sengupta, D. Foroutan, H. Russo, M. F. van Duin, A. C. T. Journal of Physical Chemistry 2012, 116, 16111.). ReaxFF/ADF simulation(8 processors) on hexane cracking in a ZSM5-zeolite loaded with Fe-13 metal clusters (Joshi, K. van Duin, A. C. T. Energy and Fuels 2013, 27, 4481.). ReaxFF energy minimization on a...

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About Us | RxFF Consulting, LLC

http://www.rxffconsulting.com/about-us

RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. RxFF Consulting, LLC is a company based in State College, PA near Pennsylvania State University. Our main focus is to develop ReaxFF force field parameters for new materials and provide consulting on ReaxFF and other computational chemistry applications. ACT van Duin, S. Dasgupta, F. Lorant, F and W.A. Goddard III J. Phys. Chem. A 105. Recent ReaxFF overview paper:. RxFF Consulting, LLC.

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Management Team | RxFF Consulting, LLC

http://www.rxffconsulting.com/management-team

RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. Dr Diana van Duin, member and CEO. PhD in Chemistry, Dartmouth College. Specialty: materials nanotechnology, nanotoxicity, catalysis, force field parameter development. Post-Ph.D. worked both in academic and industrial environment. Dr Adri van Duin, member and CTO. PhD in Chemistry, Delft University of Technology. Inventor and main developer of the ReaxFF method. RxFF Consulting, LLC.

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Blog | RxFF Consulting, LLC | ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting

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RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. Our Company’s Website Up and Running. November 7, 2013. We are happy to have our company’s website up and running! Please check this blog often; we are going to post here news and updates regarding our company and ReaxFF software. Today we would like to draw your attention to one recent paper related to the first microsecond scale ReaxFF simulations using Parallel Replica Dynamics algorithms:.

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Our Services | RxFF Consulting, LLC

http://www.rxffconsulting.com/our-services

RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. Force field parameter development for new materials. Consultation on the application of ReaxFF and associated computational chemistry software such as Density Functional Theory-based method and non-reactive force fields, using molecular dynamics and Monte Carlo based simulation concepts. Training sessions for ReaxFF. Availability of the ReaxFF software:. Please use the Contact Us. RxFF Consulting, LLC.

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Small Business Development Center Penn State. Helping business start, grow, and prosper. Frequently Asked Questions (FAQs). Occasionally, SBDC clients are featured in success stories. These stories demonstrate how the SBDC can assist clients, and they give the clients some exposure. Some current success stories can be accessed by clicking on the titles below. Penn State Freshman finds Sweet Spot on Craigslist. Penn State Grad Is Printing Possibilities as a CEO. Students Work with Penn State SBDC. Wei-Shi...

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rxffconsulting.com

RxFF Consulting, LLC | ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting

RxFF Consulting, LLC. ReaxFF – Force Field Parameter Development and Computational Chemistry Consulting. Multi-processor ReaxFF MD-simulation on the silicon carbide oxidation at T=2000K (Newsome, D. Sengupta, D. Foroutan, H. Russo, M. F. van Duin, A. C. T. Journal of Physical Chemistry 2012, 116, 16111.). ReaxFF/ADF simulation(8 processors) on hexane cracking in a ZSM5-zeolite loaded with Fe-13 metal clusters (Joshi, K. van Duin, A. C. T. Energy and Fuels 2013, 27, 4481.). ReaxFF energy minimization on a...

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