Postdoctoral Research Associate in Computational Chemistry and Data Science

** What You Will Do*
* ** The Physics and Chemistry of Materials group and the Quantum and Condensed Matter Physics groups in the Theoretical Division at Los Alamos National Laboratory invite applications for an immediate postdoctoral opening in computational chemistry and data science. The successful candidate will work at the exciting intersection of computational chemistry, machine learning, and kinetic simulations to advance materials design and deepen mechanistic understanding of chemical processes.

This opportunity offers the chance to join a vibrant, multidisciplinary research environment that brings together leading theoretical, computational, and experimental expertise to address fundamental scientific questions with real-world applications.*
* ** What You Need*
* ** Minimum

Job Requirements:

*
* ** Education/

Experience:

Ph.D. in either theoretical/computational Chemistry, Physics, Physical Chemistry, or related area completed within the last 5 years or to be completed this summer/fall.*
* ** Clearance:
The selected candidate must be a U.S. citizen and have the ability to obtain and maintain a DOE Q clearance.*
* ** The successful candidate should have:*
* +  
** Strong knowledge and demonstrated experience in electronic-structure calculations and/or data science/machine leaning as supported by an excellent record of scientific publications.*
* +  
** Experience with chemical thermodynamics and kinetics calculations, or computational chemistry for materials design.*
* +  
** Experience programming in high-level languages, particularly Python, and experience working in high-performance computing environments.*
* +  
** Ability to work creatively and independently while learning from and collaborating with experts as part of a multidisciplinary team.*
* +  
** Strong communication and writing skills, as demonstrated by publications, cover letter, and interview.*
* ** Desired

Qualifications:

*
* In addition to the minimum requirements, the following qualifications are desired, and preference will be given to candidates satisfying (at least one) of them:

+ Experience in chemical kinetics codes such as Cantera or RMG, or in running electronic structure calculations using Gaussian 16 code and/or VASP code.

+ Experience in performing high-throughput calculations using high-throughput frameworks (e.g., pyiron, aflow, or pymatgen, etc) and/or using cheminformatics tools (e.g., RDKit).

+ Experience in machine learning for materials discovery including the use of, e.g., Pytorch, Tensorflow, JAX, and machine learning packages for molecular systems (e.g., Chemprop).

+

Experience with high-performance computing, GPU programming, parallel programming, and related paradigms.

+ Willingness to work productively on multiple projects.

** Work Environment:*
* *
* Work Location:

** The work location for this position is onsite and located in Los Alamos, NM. All work locations are at the discretion of management.

** Note to Applicants:*
* Contact one of the project members with questions about this position:

+ Ivana (née Matanovic) Gonzales (ivana)

+ Wilton Kort-Kamp (kortkamp)

+ Alex Munoz (alexmunoz)

To start your application, please upload

+ CV with full publication list

+ a brief statement of research interests and future plans (maximum of one page),

+ the contacts of at least three references.

Review of applications will begin immediately and will continue until the position is filled. The position has an initial appointment of 2 years, with a possible extension for a 3rd year depending on performance and availability of funds.

Candidates may be considered for a fellowship supported by the Center for Nonlinear Studies (CNLS). Outstanding candidates may be considered for a Director's Postdoc Fellowship or for the prestigious Richard P. Feynman, Darleane Christian Hoffman, J. Robert Oppenheimer, or Frederick Reines Distinguished Postdoc Fellowships.

Additional information on salary ranges and other benefits can be found online at  https://(Use the "Apply for this Job" box below).  .

For more information about the Postdoc Program, go to  https://.php

Due to federal restrictions contained in the current National Defense Authorization Act, citizens of the People's Republic of China-including the special administrative regions of Hong Kong and Macau-as well as citizens of the Islamic Republic of Iran, the Democratic People's Republic of Korea (North Korea), and the Russian Federation, who are not Lawful Permanent Residents ("green card" holders) are prohibited from accessing facilities that support the mission, functions, and operations of national security laboratories and nuclear weapons production facilities, which includes Los Alamos National Laboratory.

** Where You Will Work*
* Located in Northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary research institution engaged in strategic science on behalf of national security.…