Ashraf Ali Email & Phone Number

Auburn, Alabama, United States

♦ Integrating molecular modeling and machine learning, mainly deep learning methods, to predict substrate specificity of the lysosomal protease enzymes. ♦ Applying data science and graph neural network to anticipate protein peptide interaction.

Auburn University, Auburn, Alabama, Usa

♦ Multiscale studies of sustainable bio- and electrocatalysis with various atomistic modeling tools.♦ Performed systematic screening of molybdenum dichalcogenides over graphene nanocomposites as electrocatalyst for sustainable hydrogen production with periodic plane-wave DFT (PW-DFT). ♦ Rationally developed strategy to enhance the electrocatalytic capability of molybdenum sulfotelluride/graphene nanocomposite for cathodic hydrogen production using PW-DFT.♦ Proposed an alternative reaction pathway for serine protease catalyzed peptide hydrolysis and conducted thermodynamic and kinetic studies with QM/MM and QM-cluster (DFT) to establish the viability of the proposed mechanism. ♦ Carried out mechanistic studies of GTP hydrolysis with HRas GTPase and its oncogenic mutations using QM/MM tools. ♦ Elucidated the nature of interactions between the L-Arginine-polyaniline sensor and fentanyl substrate and theoretically examined the efficacy of the sensor at various pH conditions with DFT and statistical analysis♦ Strong interpersonal skills with experience in collaborating with experimental research groups.♦ Mentored two undergraduate researchers, and helped to onboard new graduate researchers in the group.

Auburn, Alabama

♦ Served as a teaching assistant for various undergraduate and graduate chemical engineering courses, including Thermodynamics (CHEN 2010) and Chemical Engineering Applications of Mathematical Techniques (CHEN 2650) for sophomores, Chemical Engineering Analysis (CHEN 3650) and Reaction Engineering (CHEN 3700) for juniors, Digital Process Control (CHEN 4170) for seniors and Biochemical Engineering (CHEN 6800) for graduate students.♦ Responsibilities included grading, office hours, tutoring, and recitation.

Polash, Narsingdi, Bangladesh

Responsibilities:♦ Ensuring quality urea production with process parameters in optimum conditions in shift.♦ Taking an active part in periodical overhauling of the urea plant.♦ Member of the committee responsible for negotiating and preparing the annual performance agreement between the industry and BCIC.♦ Leading and supervising a team of nine employees.♦ Carrying out mass and energy balance calculation of urea plant.Key Process Features:Multiphase process, Separation processes, Synthesis, High-pressure system, Vacuum system, Viscous flow, Solid Handling, Compressor, Positive displacement and centrifugal pumps, Ejectors, Solid handling.

Dhaka, Bangladesh

♦ Taught chemistry and mathematics to the high school students♦ Set up chemistry course plan for engineering admission preparation program♦ Conducted annual workshops to groom new mentors for UDVASH

Chhatak, Sunamgonj, Bangladesh

Responsibilities:♦ Carrying out complete overhauling of two kilns and the clinker conveyor system.♦ Leading and supervising a team of 53 employees.♦ Ensuring quality clinker & cement production with process parameters in optimum conditions♦ Monitoring quality parameters of cement (e.g. setting time, compressive strength, fineness, minimizing residue).♦ Carrying out energy balance calculation of kiln to increase fuel efficiency.♦ Office management and public relations.Key Process Features:High-temperature system, Kiln, Slurry flow, Solid Handling, Particle engineering, Solid handling.

Doctor Of Philosophy - Phd, Chemical Engineering, 3.79

Bachelor'S Degree, Chemical Engineering

Activities and Societies: Elected Class Representative, Debate Team, Literature Club, A self-motivated blood donor and active member.