Akshay Subramanian
@akshaysubraman9
PhD student @ MIT | Machine learning and atomistic simulations for molecular design
ID: 1096497005642174465
15-02-2019 19:50:32
101 Tweet
306 Followers
364 Following
Thrilled to share my recently published work describing another curious case of inter-domain horizontal gene transfer (HGT), this time involving nematodes! HGT is just ๐๐คฏ๐ฅ Many thanks to Matt Daugherty and a wonderful collaboration with Dengke Ma! embopress.org/doi/full/10.15โฆ
I'm happy to share that our paper "Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back" was published yesterday in Science Magazine: science.org/doi/10.1126/scโฆ
Professors Bilge Yildiz and Rafael Gomez-Bombarelli are using AI to design new compounds or alloys whose surfaces can be used as catalysts in chemical reactions. Their research was published in Nature Computational Science. buff.ly/48EyfUt Nature Computational Science
Zeolites, porous materials with diverse applications, often require intricate synthesis processes. Elton Pan Olivetti Group @ MIT and colleagues MIT ChemE Dept and ITQ (UPV-CSIC) developed an open-source dataset of 23,000+ synthesis routes. Read more in ACS Central Science: buff.ly/43bGWUD
๐ข New preprint! Our latest work enables "alchemy" - โ[energy]/โ[element] in ML potentials like MACE. We model solid solutions and conduct alchemical free energy simulations. arxiv.org/abs/2404.10746 RGB Lab @ MIT #compchem #machinelearning
Excited to share that I will be interning with Samsung Display over the Summer, where I will be working on generative models and atomistic simulations to design molecules for OLEDs! If you are in the San Jose/Bay area and would like to hang out over the Summer, let me know!
Excited to start my summer internship this week at Lawrence Livermore National Laboratory LLNL Computing where I'll be working on studying robustness of machine and human vision! If you are also in the Bay Area over the summer and/or have similar interests, let's meet up!