We believe that you have a true passion for molecular dynamics, machine learning and drug design. You have a degree in chemistry, computer science or another similar discipline – ideally complemented by experience from molecule design in drug discovery projects. Your collaboration skills will be of essential importance.

Keiser Lab at UCSF is looking for a highly motivated postdoctoral candidates with a background in machine learning, computational chemistry, chemical informatics, or related fields. The candidate would work to explore chemical space through the lens of machine learning models. The project involves the design and testing of algorithms to map and quantify chemical latent space for use in drug discovery.

We are seeking an experienced Principal Scientist, Computational Chemistry to join a stealth mode computation and AI powered small molecule drug discovery biotech based in Princeton, New Jersey, which aims to build a world class computational drug discovery platform by merging physics-based modeling and modern AI/machine learning technologies, while fully utilising an industry-leading high-performance computing resource. With a team of highly accomplished drug hunters, empowered by and tightly integrated with the platform, we strive to discover breakthrough medicines. This role is on a remote-basis.

Posting Duration: This posting will be open for application submissions for a minimum of seven (7) calendar days including the posting date.Sandia reserves the right to extend the posting date at any time.

The Research Associate is expected to independently carry out and conduct a research project to develop Artificial Intelligence (AI) and Machine Learning (ML) algorithms for data mining in the two research streams of the group: ultrafast electron diffraction and PIRL-DIVE-MS.

The Chemistry Department at Carnegie Mellon University seeks applicants for a tenure-track faculty member at the level of Assistant Professor in the areas of physical, analytical, or computational chemistry who will contribute to emerging efforts in automated/data-driven science and existing departmental strengths in environmental, materials, or physical chemistry. Some areas of interest include: development of analytical techniques for accelerating studies of chemical reactivity; parallelized detection of analytes in reaction mixtures or complex environmental samples; data-driven materials design and testing; and new computational approaches to complex systems, chemical reactions, or the exploration of chemical space.

The Department of Chemistry at the University at Buffalo, The State University of New York invites applications for a faculty position in computational chemistry related to human health at the level of Assistant Professor. Candidates with research interests in computational structural biology and dynamics of biomacromolecules, structure-guided drug design, small molecule in silico screening and docking, machine learning in chemical biology and medicinal chemistry, and modeling of biochemical processes are particularly encouraged to apply.

The Department of Chemistry at the University at Buffalo, The State University of New York invites applications for a faculty position in computational chemistry related to human health at the level of Assistant Professor. Candidates with research interests in computational structural biology and dynamics of biomacromolecules, structure-guided drug design, small molecule in silico screening and docking, machine learning in chemical biology and medicinal chemistry, and modeling of biochemical processes are particularly encouraged to apply. Candidates should have a strong background in physical and biophysical chemistry, and computational techniques including molecular dynamics simulations.

We are looking for a motivated and qualified Research Scientist with background in Computational Chemistry at R&D centre of excellence of Svante located at Burnaby (near Vancouver), BC, Canada. This person will work on computational modeling/screening of various sorbents for CO2 capture. This person will take responsibility that, at all times, he/she represents Svante Goals and Values to internal and external customers and suppliers.

The University of Nottingham invites applications for a Computational Chemistry KTP Associate to join our exciting collaboration with Colorifix Ltd.

Applications are invited for appointment as Post-doctoral Fellow/Research Assistant I/II in Quantum Computation and Simulation Applications Development in the Department of Civil Engineering (Ref.: 515642) to commence as soon as possible for one year with the possibility of renewal subject to satisfactory performance.

Posting Duration: This posting will be open for application submissions for a minimum of seven (7) calendar days including the posting date.Sandia reserves the right to extend the posting date at any time.

Requisition Id8639 Overview: We are seeking a Postdoctoral Research Associate who will focus on applying computational methods to design new chelating agents optimized for use in chemical separations.This position resides in the Chemical Separations Group of the Chemical Sciences Division Physical Sciences Directorate (PSD) at Oak Ridge National Laboratory (ORNL).

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.

Posting Duration: This posting will be open for application submissions for a minimum of seven (7) calendar days including the posting date.Sandia reserves the right to extend the posting date at any time.

We are seeking a candidate with expertise in their area of technical expertise that will initiate and perform independent R&D on an ongoing basis. Responsibilities for this position include working closely with the project team to create, evaluate, and publish novel research ideas, supervise and mentor students, and collaborate with our partners and sponsors.

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.

1QBit is looking for a high-performance computing expert to join our growing Hardware Innovation Lab (HIL) team, a division of the company that performs R&D to advance emerging computational technologies, including quantum computing. You will join a talented team of scientists and software developers tackling uniquely challenging computational problems.

1QBit is looking for a high-performance computing expert to join our growing Hardware Innovation Lab (HIL) team, a division of the company that performs R&D to advance emerging computational technologies, including quantum computing. You will join a talented team of scientists and software developers tackling uniquely challenging computational problems.

Requisition Id8639 Overview: We are seeking a Postdoctoral Research Associate who will focus on applying computational methods to design new chelating agents optimized for use in chemical separations.This position resides in the Chemical Separations Group of the Chemical Sciences Division Physical Sciences Directorate (PSD) at Oak Ridge National Laboratory (ORNL).