Requisition Id8587 Overview: Oak Ridge National Laboratory is the largest US Department of Energy science and energy laboratory conducting basic and applied research to deliver transformative solutions to compelling problems in energy and security.We are seeking a Postdoctoral Research Associate who will focus on ab initio and classical molecular dynamics simulations and machine learning methods to understand the chemistry of molten salts and design molten salts compositions for energy related applications.

The primary objective of this position is to generate a vibrant research group in the area of Computational Chemistry focused on electronic structure calculations. You will be encouraged to develop links with research groups across the School and beyond. You will have a lead role in co-ordinating the delivery of teaching within the field of computational chemistry and you will lead the taught MSc programme in Chemistry and Digital Science, part of a suite of taught MSc programmes.

You are required to have a PhD in computational chemistry. You will have high-level skills in computational chemistry and molecular magnetism. You should have a strong publication track record and demonstrated commitment to research excellence. Expertise in ab initio methods and coding (python and/or Matlab) are essential.

CUE’s Faculty of Science is seeking candidates for the position of Assistant Professor of Chemistry in the Department of Mathematical and Physical Sciences.

The Department of Chemistry at the University of Toronto invites applications for a Research Associate (Limited Term) for a 1-year term appointment with the possibility of extensions, to join Professor Paul Brumer’s research group. The Research Associate is expected to independently carry out and develop new theoretical and computational approaches to the study of the coherent control of cold and ultracold molecular (including atom-molecule) collisions with a significant focus on metastable complex formation, within the formalism of time-independent quantum scattering theory.

The School of Chemistry is seeking to appoint a new woman-identifying staff member within the broad area of Theoretical Chemistry or Computational Chemistry.

This position is a computational chemistry role reporting initially to the head of Computational Drug Discovery. We are seeking highly talented and motivated people to contribute to the development of the Computational Drug Discovery group, a new strategic function that is part of the platform discovery engine for HeliconTM peptide drugs. The skill sets of the group will include state-of-the-art molecular modeling, cheminformatics and data science towards the discovery and development of HeliconTM peptide drugs

We seek to hire a PhD candidate to computationally investigate fundamental physical and chemical processes which occur due to application of low temperature plasmas to water.

We have an exciting vacancy for a Senior Computational Scientist in STFC’s Scientific Computing Department (SCD) to join the team developing the ChemShell multiscale computational chemistry environment. Your research will explore the potential to use quantum computers alongside conventional high performance computing (HPC) to transform how chemical simulations are performed.

The Department of Chemistry at the University of Toronto invites applications for a Research Associate (Limited Term) for a 1-year term appointment with the possibility of extensions, to join Professor Paul Brumer’s research group. The Research Associate is expected to independently carry out and develop new theoretical and computational approaches to the study of the coherent control of cold and ultracold molecular (including atom-molecule) collisions with a significant focus on metastable complex formation, within the formalism of time-independent quantum scattering theory.

We seek to hire a PhD candidate to computationally investigate fundamental physical and chemical processes which occur due to application of low temperature plasmas to water.

We are seeking a highly skilled and motivated Computational Chemist with a strong background in computational drug discovery, biomolecular simulation, and chemical informatics. Utilizing their drug design expertise, our ideal candidate will engage in drug discovery enabled by our chemistry and biology groups while also expanding both internally developed and commercial tools to perform computer-aided design of cell permeable macrocycles.

The position will be part of an integrated team of computational materials scientists, chemists, physicists and HPC application developers that will design and deliver novel approaches, methodologies, algorithms and software to tackle large scale ground and excited state first principles materials simulations and scaling efforts to future leadership class HPC Exascale architectures.

The Department of Chemistry in the Faculty of Arts and Science at the University of Toronto invite applications for a full-time tenure stream position in the area of computational chemistry applied to medicinal chemistry and chemical biology.

As a Postdoctoral Training Fellow in Computational Chemistry you will be required to apply a range of different computational techniques to study the interactions of small molecules with their target proteins and assess the ability to form ternary complexes with an appropriate E3 ligase. You will be expected to communicate your findings with colleagues with the aim of guiding the medicinal chemistry efforts within a number of different projects.

We are seeking an exceptionally talented and highly motived computational chemist who will enhance our molecular design capabilities across multiple drug discovery programs. The successful candidate will be responsible for the implementation and execution of innovative computational methodologies and tools to support drug discovery programs from target identification through lead optimization and ultimately drug candidate selection.

n this position you will initiate and lead R&D efforts involving teams of ORNL researchers and external collaborators, using your deep expertise and broad perspective to develop innovative new software-based capabilities for quantum computing. You will design and oversee the implementation of software for quantum computing, potentially including: programming languages at all levels of abstraction (from domain-specific languages to quantum hardware control); application libraries; compilers, translators, and program analyzers; interfaces between software tools; integrated quantum programming environments; error mitigation and post-processing; verification and debugging; and HPC simulation of quantum computers. Your efforts will support a growing number of application areas including quantum physical sciences (chemistry, material science, condensed matter physics nuclear physics, high energy physics), machine learning, optimization, and computational fluid dynamics.

The hired applicant is expected to seek extramural research funding and conduct innovative research in a collaborative fashion that integrates the chemical sciences, life sciences, and data mining in drug discovery. We are particularly interested in candidates who bridge chemical and biological information using large, diverse datasets.

DeepCure is seeking an exceptional and highly-motivated Computational Chemist to join our fast-growing collaborative team and contribute to redefining drug discovery. In this role, you will use our transformative Artificial Intelligence (AI) platform, contribute to and apply cutting-edge technologies, and help us shape the company’s scientific vision. You will work hand-in-hand with other drug discovery scientists, machine learning scientists and software engineers to build and develop a portfolio of programs to find cures to unmet medical needs. This is a unique position – as a member of a fast growing early-stage company your contributions will have a significant impact on the science and you will have tremendous opportunity for growth as the company expands.

Perform compuational and theoretical chemistry studies