Atomistic Modeling of Phase Equilibria - Postdoctoral Researcher

Lawrence Livermore National Laboratory
Livermore, CA 94550

We have an opening for a Postdoctoral Researcher to perform atomistic simulations of phase equilibria at high-pressure conditions. The emphasis will be on the development and application of novel free-energy calculation techniques to predict phase boundaries in pure substances and in multicomponent mixtures. Possible application areas include planetary science and inertial confinement fusion. The selected candidate will also be encouraged to design new thermodynamic models (i.e., equations of state) that incorporate the simulation results. The candidate will work closely with a multidisciplinary team and will gain exposure to a variety of material-modeling efforts from the atomistic to continuum scales. The position is in the Equation of State and Materials Theory Group, Condensed Matter Physics Section of the Physics Division.

In this role you will

  • Develop and apply state-of-the-art approaches (e.g., through first-principles quantum methods, molecular dynamics, and/or Monte Carlo) to accurately and efficiently compute phase boundaries in various systems, including multicomponent mixtures.
  • Perform atomistic simulations to analyze the mechanistic details underlying phenomena related to phase transitions at high pressures, such as shear-induced plastic flow.
  • Build equations of state that incorporate the simulation results and other available data.
  • Publish research results in external peer-reviewed scientific journals.
  • Analyze, report, and present scientific results at seminars, technical meetings, national and international conferences.
  • Present overviews of research progress at group meetings.
  • Pursue independent (but complementary) research interests and interact with a broad spectrum of scientists internally and externally.
  • Perform other duties as assigned.

  • Ph.D. in Earth/planetary science, chemical/environmental engineering, mechanical engineering, materials science, chemistry, physics, or a related field.
  • Demonstrated expertise in development and application of phase-equilibria techniques involving first-principles electronic-structure, molecular dynamics, or Monte Carlo methods.
  • Experience in classical thermodynamics and statistical mechanics, especially on topics related to phase equilibria and multicomponent mixtures.
  • Ability to think critically and develop independent research projects through literature reviews, attendance of talks/seminars, and publication of peer-reviewed manuscripts.
  • Proficient verbal and written communication skills as reflected in a strong record of scientific publications and presentations at seminars or conferences.
  • Ability to work effectively independently, as well as in a team environment.

Qualifications We Desire

  • Experience with constructing equations of state and other thermodynamic models.
  • Experience in one or more of the following: development of atomistic potentials, genetic and evolutionary algorithms for crystal-structure prediction, transport phenomena.
  • Background in Planetary, Earth, or Environmental Science.

Why Lawrence Livermore National Laboratory?

  • Included in 2021 Best Places to Work by Glassdoor
  • Work for a premier innovative national Laboratory
  • Comprehensive Benefits Package
  • Flexible schedules (*depending on project needs)
  • Collaborative, creative, inclusive, and fun team environment

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LLNL is a Department of Energy (DOE) and National Nuclear Security Administration (NNSA) Laboratory. Some positions will require a DOE L or Q clearance (please reference Security Clearance requirement above). If you are selected and a clearance is required, we will initiate a Federal background investigation to determine if you meet eligibility requirements for access to classified information or matter. In addition, all L or Q cleared employees are subject to random drug testing. An L or Q clearance requires U.S. citizenship. For additional information please see DOE Order 472.2.

Pre-Employment Drug Test

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Pre-Placement Medical Exam

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We have an opening for a Postdoctoral Researcher to perform atomistic simulations of phase equilibria at high-pressure conditions. The emphasis will be on the development and application of novel free-energy calculation techniques to predict phase boundaries in pure substances and in multicomponent mixtures. Possible application areas include planetary science and inertial confinement fusion. The selected candidate will also be encouraged to design new thermodynamic models (i.e., equations of state) that incorporate the simulation results. The candidate will work closely with a multidisciplinary team and will gain exposure to a variety of material-modeling efforts from the atomistic to continuum scales. The position is in the Equation of State and Materials Theory Group, Condensed Matter Physics Section of the Physics Division.

In this role you will

  • Develop and apply state-of-the-art approaches (e.g., through first-principles quantum methods, molecular dynamics, and/or Monte Carlo) to accurately and efficiently compute phase boundaries in various systems, including multicomponent mixtures.
  • Perform atomistic simulations to analyze the mechanistic details underlying phenomena related to phase transitions at high pressures, such as shear-induced plastic flow.
  • Build equations of state that incorporate the simulation results and other available data.
  • Publish research results in external peer-reviewed scientific journals.
  • Analyze, report, and present scientific results at seminars, technical meetings, national and international conferences.
  • Present overviews of research progress at group meetings.
  • Pursue independent (but complementary) research interests and interact with a broad spectrum of scientists internally and externally.
  • Perform other duties as assigned.
"},"qualifications":{"title":"Qualifications","text":"
  • Ph.D. in Earth/planetary science, chemical/environmental engineering, mechanical engineering, materials science, chemistry, physics, or a related field.
  • Demonstrated expertise in development and application of phase-equilibria techniques involving first-principles electronic-structure, molecular dynamics, or Monte Carlo methods.
  • Experience in classical thermodynamics and statistical mechanics, especially on topics related to phase equilibria and multicomponent mixtures.
  • Ability to think critically and develop independent research projects through literature reviews, attendance of talks/seminars, and publication of peer-reviewed manuscripts.
  • Proficient verbal and written communication skills as reflected in a strong record of scientific publications and presentations at seminars or conferences.
  • Ability to work effectively independently, as well as in a team environment.

Qualifications We Desire

  • Experience with constructing equations of state and other thermodynamic models.
  • Experience in one or more of the following: development of atomistic potentials, genetic and evolutionary algorithms for crystal-structure prediction, transport phenomena.
  • Background in Planetary, Earth, or Environmental Science.

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Atomistic Modeling of Phase Equilibria - Postdoctoral Researcher

Lawrence Livermore National Laboratory
Livermore, CA 94550

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