Christian聽Negre
Staff Scientist III at Los Alamos National Laboratory
Los Alamos, New Mexico, United States
Summary
馃懁
Senior馃帗
Top SchoolChristian Negre is a Staff Scientist III and computational chemist with over a decade of experience developing scientific software and advanced simulation codes at Los Alamos National Laboratory. He combines deep expertise in FORTRAN, C/C++ and Python with research strengths in quantum dynamics, NEGF electron transport, DFT/TDDFT, and molecular dynamics to deliver production-grade integrations of electronic structure methods into MD platforms. Notably, he contributed backend integration of the LATTE electronic-structure library into the widely used LAMMPS codebase, demonstrating practical impact on an important open-source MD project. Comfortable across Linux-based HPC environments, he pairs rigorous academic training (PhD in Chemical Physics) with an MBA, enabling him to bridge technical research and programmatic objectives. Colleagues rely on him for solving complex multi-scale transport and dynamics problems and for turning sophisticated algorithms into usable, extensible software.
10 years of coding experience
11 years of employment as a software developer
Degree in Licenciado in Chemistry, Chemical Physics, Degree in Licenciado in Chemistry, Chemical Physics at Universidad Nacional de C贸rdobaChemical Technician, Industrial Chemistry, Technician, Chemical Technician, Industrial Chemistry, Technician at Industrial School Dr. Armando NovellyMaster of Business Administration - MBA, Business Administration and Management, General, GPA = 4.16, Master of Business Administration - MBA, Business Administration and Management, General, GPA = 4.16 at UNM Anderson School of Management
English, French, Spanish, Italian
Github Skills (9)
lammps10
c-language10
molecular-dynamics-simulation10
cprogramming-language10
molecular-simulation10
nonlinear-dynamics10
makefile9
fortran9
computational-physics8
Programming languages (4)
Github contributions (5)
lammps/lammps
Nov 2016 - Jun 2018
Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer
Back-end DeveloperContributions:39 commits, 2 PRs, 6 comments in 1 year 7 months
Contributions summary:Christian primarily contributed to the `fix_latte.cpp` file, integrating the LATTE library into the LAMMPS molecular dynamics software. Their work involved modifying the code to incorporate LATTE calculations, including force computations and virial calculations. The changes also include adapting the code to handle new system flags and the inclusion of tilt factors, suggesting a focus on expanding the functionality of the LATTE interface within LAMMPS. Furthermore, the user made modifications to the Makefile, linking the external LATTE library, showing the user's contribution towards integration.
lammpsmolecular-dynamicssimulationkokkos
lanl/LCC
Jul 2022 - Jan 2024
A crystal builder
Contributions:2 releases, 10 reviews, 17 PRs in 1 year 6 months
buildercrystal
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