Postdoctoral Research Associate Positions in AI/ML-Driven Molecular Discovery, Quantum Algorithms, a
for sections like About the role, Responsibilities, Requirements, Qualifications, Skills, Benefits, Pay, Schedule. Only include sections that have real specific content. No job title heading. No Job ID etc. Remove boilerplate, navigation, EEO, etc. Must preserve all substantive info.
We need to parse the description.
Key sections:
- About the role / What You Will Do: description of work: integrated Bio-inspired molecular design and simulation for critical materials and f-element separation, application of quantum algorithms in heavy elements, intersection of quantum chemistry, metal-biological systems, quantum dynamics simulations, machine learning, agentic-AI applied to critical materials and lanthanides/actinides separation, cross-disciplinary collaborations.
- Responsibilities: maybe same as What You Will Do. Could combine.
- Requirements / Minimum Job Requirements: list bullet points: Ph.D. in Physics, Chemistry, Materials Science, or related physical sciences, completed within last 5 years or to be completed soon. Strong background in theoretical/computational chemistry, chemical physics, or closely related field. Demonstrated experience with first-principle electronic structure methods including DFT and multireference methods. Strong experience with atomistic simulation of molecular and/or biological systems, including molecular dynamics, etc. Programming experience in at least one scientific programming language (Python, Fortran, C/C++, Julia, or related). Demonstrated experience with development of AI/ML scientific workflows applied to computational chemistry or materials science. Demonstrated experience conducting original scientific research, as evidenced by peer-reviewed publications, preprints, or other scholarly outputs. Demonstrated ability to work creatively and independently, while also collaborating effectively as part of a diverse multidisciplinary team.
- Education/Experience: Ph.D. in Computational Chemistry, Physics, Biology, or related field completed within last five years. (Similar to minimum.)
- Desired Qualifications: list bullet points: Experience with lanthanide or actinide chemistry, especially systems where relativistic effects, spin-orbit coupling, strong correlation, or multireference character are important. Experience with AI/ML-guided approaches to molecular and materials design. Experience with development of complex scientific workflows on high-performance computing platforms. Demonstrated experience in developing quantum or mixed quantum-classical dynamic methods like tensor network, multiple-configurational time-dependent Hartree, or related methods. Experience with using quantum computing capability development to advance both quantum and classical computational methods.
- Contact: Dr. Ping Yang (pyang@lanl.gov). Work Location: onsite Los Alamos, NM. Could be a short paragraph.
- Appointment duration: two years, possibility of third-year extension based on performance evaluation. Candidates may be considered for fellowship supported by CNLS or G. T. Seaborg Institute. Outstanding candidates may be considered for Director's Postdoc Fellowship or Distinguished Postdoc fellowships. Seek to fill both uncleared position and positions requiring ability to obtain a DOE Q clearance.
- Benefits: list bullet points: PPO or High Deductible medical insurance with same large nationwide network; Dental and vision insurance; Free basic life and disability insurance; Paid childbirth and parental leave; Award-winning 401(k) (6% matching plus 3.5% annually); Learning opportunities and tuition assistance; Flexible schedules and time off (PTO and holidays); Onsite gyms and wellness programs; Extensive relocation packages (outside a 50 mile radius).
- Additional details: Directive 206.2 etc. Might be considered boilerplate? It's about employment eligibility, clearance, drug testing, etc. Some of that is substantive (clearance, drug testing). But we need to decide if to include. The instruction: Remove cookie/navigation/legal/EEO/equal-opportunity/scam-warning boilerplate, duplicated lines, and application instructions. The directive about clearance and drug testing might be considered legal boilerplate? It's specific to the job (clearance requirement, drug test). Might be considered relevant. However, the instruction says remove legal boilerplate. The clearance info might be considered legal but it's substantive about position requirements. The directive about Triad etc. Might be considered boilerplate. I'd lean to include a short paragraph about clearance and drug test if it's specific. But to be safe, maybe include a short paragraph: "The appointment is for a duration of two years, with possibility of a third-year extension based on performance evaluation. Candidates may be considered for fellowships... Seek to fill both uncleared positions and positions requiring ability to obtain a DOE Q clearance. Selected candidates will be subject to drug testing and other pre-employment background checks." That seems substantive.
- Pay: Not specified (minimum/maximum salary fields empty). So we should NOT include Pay section because no specific content.
- Schedule: Not specified; we should not include Schedule section.
- Skills: Could be derived from programming languages etc. But we already have requirements. Might not need separate Skills section.
We need to avoid filler like "commensurate with experience". Not present.
We must output only HTML fragment, no markdown fences.
Structure: Use for each section heading. Use - for lists. Use
for prose.
We need to decide sections: About the role (What You Will Do), Responsibilities (maybe same), Requirements (Minimum Job Requirements), Qualifications (Desired Qualifications), Benefits, Additional Info (Appointment details, Contact, Work Location). Could combine Contact and Work Location into a
.
We must not repeat job title as heading.
Let's craft:
About the Role
... description ...
Responsibilities
... maybe same as above? Could be redundant. Better to combine? But we need to avoid duplication. Could omit Responsibilities if same as About the role. But we need to include only when posting has real specific content. The posting has "What You Will Do" which is responsibilities. So we can make that the Responsibilities section. About the role could be brief overview. But we have only that description. Let's make one section: Responsibilities.
But the instruction says use headings like About the role, Responsibilities, etc. We can choose which to include. I'd include Responsibilities (from What You Will Do). And maybe an Overview section? Not needed.
Let's do:
Responsibilities
... the description ...
Minimum Requirements
- ...
...
Desired Qualifications
- ...
...
Benefits
- ...
...
Appointment Details
... duration, fellowships, clearance, drug test, contact, location ...
We need to include Contact Dr. Ping Yang and Work Location.
Let's extract specifics.
Responsibilities text:
"T-1 groups at Los Alamos National Laboratory are seeking several highly motivated postdoctoral researchers to join a dynamic multi-disciplinary team that focuses on the development of integrated Bio-inspired molecular design and simulation for critical materials and f-element separation, as well as the application of quantum algorithms in heavy elements. The successful candidate will be working at the intersection of quantum chemistry, metal-biological systems, quantum dynamics simulations, machine learning, and agentic-AI applied to critical materials and lanthanides/actinides separation. The position offers exceptional opportunities for cross-disciplinary collaborations between theoretical and experimental chemists/physicists and data/computational scientists."
We'll put that in .
Minimum Requirements bullets:
- A Ph.D. in Physics, Chemistry, Materials Science, or related physical sciences, completed within the last 5 years or to be completed soon.
- Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely related field.
- Demonstrated experience with first-principle electronic structure methods including density functional theory and multireference methods.
- Strong experience with atomistic simulation of molecular and/or biological systems, including molecular dynamics, etc.
- Programming experience in at least one scientific programming language, such as Python, Fortran, C/C++, Julia, or a related language.
- Demonstrated experience with the development of AI/ML scientific workflows applied to computational chemistry or materials science.
- Demonstrated experience conducting original scientific research, as evidenced by peer-reviewed publications, preprints, or other scholarly research outputs.
- Demonstrated ability to work creatively and independently, while also collaborating effectively as part of a diverse multidisciplinary team.
Desired Qualifications bullets:
- Experience with lanthanide or actinide chemistry, especially systems where relativistic effects, spin-orbit coupling, strong correlation, or multireference character are important.
- Experience with AI/ML-guided approaches to molecular and materials design.
- Experience with the development of complex scientific workflows on high-performance computing platforms.
- Demonstrated experience in developing quantum or mixed quantum-classical dynamic methods like tensor network, multiple-configurational time-dependent Hartree, or related methods.
- Experience with using quantum computing capability development to advance both quantum and classical computational methods.
Benefits bullets:
- PPO or High Deductible medical insurance with the same large nationwide network
- Dental and vision insurance
- Free basic life and disability insurance
- Paid childbirth and parental leave
- Award-winning 401(k) (6% matching plus 3.5% annually)
- Learning opportunities and tuition assistance
- Flexible schedules and time off (PTO and holidays)
- Onsite gyms and wellness programs
- Extensive relocation packages (outside a 50 mile radius)
Appointment Details paragraph:
"The appointment is for a duration of two years, with the possibility of a third-year extension based on performance evaluation. Candidates may be considered for a fellowship supported by the Center for Nonlinear Studies (CNLS) or G. T. Seaborg Institute. Outstanding candidates may be considered for a Director's Postdoc Fellowship or one of several Distinguished Postdoc fellowships. We seek to fill both uncleared positions and positions requiring the ability to obtain a DOE Q clearance. Selected candidates will be subject to drug testing and other pre-employment background checks. Contact: Dr. Ping Yang (pyang@lanl.gov). Work Location: onsite in Los Alamos, NM."
We should not include the duplicated lines about Equal Opportunity etc.
Now produce HTML.
Make sure to close tags properly.
Let's craft:
Responsibilities
T-1 groups at Los Alamos National Laboratory are seeking several highly motivated postdoctoral researchers to join a dynamic multi-disciplinary team that focuses on the development of integrated Bio-inspired molecular design and simulation for critical materials and f-element separation, as well as the application of quantum algorithms in heavy elements. The successful candidate will be working at the intersection of quantum chemistry, metal-biological systems, quantum dynamics simulations, machine learning, and agentic-AI applied to critical materials and lanthanides/actinides separation. The position offers exceptional opportunities for cross-disciplinary collaborations between theoretical and experimental chemists/physicists and data/computational scientists.
Minimum Requirements
- A Ph.D. in Physics, Chemistry, Materials Science, or related physical sciences, completed within the last 5 years or to be completed soon.
- Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely related field.
- Demonstrated experience with first-principle electronic structure methods including density functional theory and multireference methods.
- Strong experience with atomistic simulation of molecular and/or biological systems, including molecular dynamics, etc.
- Programming experience in at least one scientific programming language, such as Python, Fortran, C/C++, Julia, or a related language.
- Demonstrated experience with the development of AI/ML scientific workflows applied to computational chemistry or materials science.
- Demonstrated experience conducting original scientific research, as evidenced by peer-reviewed publications, preprints, or other scholarly research outputs.
- Demonstrated ability to work creatively and independently, while also collaborating effectively as part of a diverse multidisciplinary team.
Desired Qualifications
- Experience with lanthanide or actinide chemistry, especially systems
- for lists. Use
for prose. We need to decide sections: About the role (What You Will Do), Responsibilities (maybe same), Requirements (Minimum Job Requirements), Qualifications (Desired Qualifications), Benefits, Additional Info (Appointment details, Contact, Work Location). Could combine Contact and Work Location into a
. We must not repeat job title as heading. Let's craft:
About the Role
... description ...
Responsibilities
... maybe same as above? Could be redundant. Better to combine? But we need to avoid duplication. Could omit Responsibilities if same as About the role. But we need to include only when posting has real specific content. The posting has "What You Will Do" which is responsibilities. So we can make that the Responsibilities section. About the role could be brief overview. But we have only that description. Let's make one section: Responsibilities. But the instruction says use headings like About the role, Responsibilities, etc. We can choose which to include. I'd include Responsibilities (from What You Will Do). And maybe an Overview section? Not needed. Let's do:
Responsibilities
... the description ...
Minimum Requirements
- ... ...
Desired Qualifications
- ... ...
Benefits
- ... ...
Appointment Details
... duration, fellowships, clearance, drug test, contact, location ...
We need to include Contact Dr. Ping Yang and Work Location. Let's extract specifics. Responsibilities text: "T-1 groups at Los Alamos National Laboratory are seeking several highly motivated postdoctoral researchers to join a dynamic multi-disciplinary team that focuses on the development of integrated Bio-inspired molecular design and simulation for critical materials and f-element separation, as well as the application of quantum algorithms in heavy elements. The successful candidate will be working at the intersection of quantum chemistry, metal-biological systems, quantum dynamics simulations, machine learning, and agentic-AI applied to critical materials and lanthanides/actinides separation. The position offers exceptional opportunities for cross-disciplinary collaborations between theoretical and experimental chemists/physicists and data/computational scientists." We'll put that in. Minimum Requirements bullets: - A Ph.D. in Physics, Chemistry, Materials Science, or related physical sciences, completed within the last 5 years or to be completed soon. - Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely related field. - Demonstrated experience with first-principle electronic structure methods including density functional theory and multireference methods. - Strong experience with atomistic simulation of molecular and/or biological systems, including molecular dynamics, etc. - Programming experience in at least one scientific programming language, such as Python, Fortran, C/C++, Julia, or a related language. - Demonstrated experience with the development of AI/ML scientific workflows applied to computational chemistry or materials science. - Demonstrated experience conducting original scientific research, as evidenced by peer-reviewed publications, preprints, or other scholarly research outputs. - Demonstrated ability to work creatively and independently, while also collaborating effectively as part of a diverse multidisciplinary team. Desired Qualifications bullets: - Experience with lanthanide or actinide chemistry, especially systems where relativistic effects, spin-orbit coupling, strong correlation, or multireference character are important. - Experience with AI/ML-guided approaches to molecular and materials design. - Experience with the development of complex scientific workflows on high-performance computing platforms. - Demonstrated experience in developing quantum or mixed quantum-classical dynamic methods like tensor network, multiple-configurational time-dependent Hartree, or related methods. - Experience with using quantum computing capability development to advance both quantum and classical computational methods. Benefits bullets: - PPO or High Deductible medical insurance with the same large nationwide network - Dental and vision insurance - Free basic life and disability insurance - Paid childbirth and parental leave - Award-winning 401(k) (6% matching plus 3.5% annually) - Learning opportunities and tuition assistance - Flexible schedules and time off (PTO and holidays) - Onsite gyms and wellness programs - Extensive relocation packages (outside a 50 mile radius) Appointment Details paragraph: "The appointment is for a duration of two years, with the possibility of a third-year extension based on performance evaluation. Candidates may be considered for a fellowship supported by the Center for Nonlinear Studies (CNLS) or G. T. Seaborg Institute. Outstanding candidates may be considered for a Director's Postdoc Fellowship or one of several Distinguished Postdoc fellowships. We seek to fill both uncleared positions and positions requiring the ability to obtain a DOE Q clearance. Selected candidates will be subject to drug testing and other pre-employment background checks. Contact: Dr. Ping Yang (pyang@lanl.gov). Work Location: onsite in Los Alamos, NM." We should not include the duplicated lines about Equal Opportunity etc. Now produce HTML. Make sure to close tags properly. Let's craft:
Responsibilities
T-1 groups at Los Alamos National Laboratory are seeking several highly motivated postdoctoral researchers to join a dynamic multi-disciplinary team that focuses on the development of integrated Bio-inspired molecular design and simulation for critical materials and f-element separation, as well as the application of quantum algorithms in heavy elements. The successful candidate will be working at the intersection of quantum chemistry, metal-biological systems, quantum dynamics simulations, machine learning, and agentic-AI applied to critical materials and lanthanides/actinides separation. The position offers exceptional opportunities for cross-disciplinary collaborations between theoretical and experimental chemists/physicists and data/computational scientists.
Minimum Requirements
- A Ph.D. in Physics, Chemistry, Materials Science, or related physical sciences, completed within the last 5 years or to be completed soon.
- Strong background in theoretical chemistry, computational chemistry, chemical physics, or a closely related field.
- Demonstrated experience with first-principle electronic structure methods including density functional theory and multireference methods.
- Strong experience with atomistic simulation of molecular and/or biological systems, including molecular dynamics, etc.
- Programming experience in at least one scientific programming language, such as Python, Fortran, C/C++, Julia, or a related language.
- Demonstrated experience with the development of AI/ML scientific workflows applied to computational chemistry or materials science.
- Demonstrated experience conducting original scientific research, as evidenced by peer-reviewed publications, preprints, or other scholarly research outputs.
- Demonstrated ability to work creatively and independently, while also collaborating effectively as part of a diverse multidisciplinary team.
Desired Qualifications
- Experience with lanthanide or actinide chemistry, especially systems