Prof. WILLIAM GODDARD | Computational Chemistry | Best Researcher Award

Prof. WILLIAM GODDARD | Computational Chemistry| Best Researcher Award

Prof. WILLIAM GODDARD , California Institute of Technology, United States

William A. Goddard, III is the Charles and Mary Ferkel Professor of Chemistry, Materials Science, and Applied Physics at Caltech. With over six decades of groundbreaking research, he is a pioneer in theoretical chemistry and materials science. He has led the Materials and Process Simulation Center since 1990, driving advancements in nanotechnology, quantum molecular science, and catalysis. Dr. Goddard’s interdisciplinary work bridges physics, chemistry, and engineering, earning him recognition as one of the world’s top scientists. His prolific career includes 1673 publications, 33 patents, and numerous accolades, including the prestigious Horizon Prize from the Royal Society of Chemistry in 2024.

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Summary of Suitability for Award:

William A. Goddard, III is an exemplary candidate for the “Best Researcher Awards” due to his unparalleled contributions to theoretical chemistry, materials science, and nanotechnology. With over 1,673 publications, an H-index of 196, and I-10 index of 1,446, his research impact is globally recognized. His pioneering computational methods, including molecular dynamics and quantum simulations, have revolutionized fields like catalysis, renewable energy, and nanomaterials. He has seamlessly bridged theoretical and applied sciences, solving real-world problems across disciplines.William A. Goddard, III embodies the qualities of a distinguished researcher: groundbreaking discoveries, a prolific publication record, global recognition, and transformative impact. His contributions have shaped modern science and technology, making him an exceptional choice for the “Best Researcher Awards.”

🎓Education:

William A. Goddard, III earned a B.S. in Engineering (Highest Honors) from UCLA in 1960, demonstrating exceptional aptitude in interdisciplinary sciences. He pursued his Ph.D. in Engineering Science with a minor in Physics at Caltech, completing his doctorate in October 1964. During his doctoral journey, he delved into theoretical chemistry, pioneering methods that combined computational and physical principles. Post-Ph.D., he was appointed the Alfred A. Noyes Research Fellow of Chemistry at Caltech (1964-1966), focusing on advanced molecular theories. This formative education laid the foundation for his extensive contributions to materials science, catalysis, and nanotechnology.

🏢Work Experience:

William A. Goddard, III has dedicated his career to Caltech, holding several prestigious roles since 1967. He began as an Assistant Professor of Theoretical Chemistry, progressing to a full professorship in 1978. From 1984-2001, he served as the Charles and Mary Ferkel Professor of Chemistry and Applied Physics, a title he continues to hold today. As Director of the Materials and Process Simulation Center (MSC) since 1990, he has spearheaded computational methods in materials science. He also led NSF research groups (1992-1997) and oversaw major Grand Challenge Applications initiatives. Beyond Caltech, his global impact includes roles such as the IISc-DST Centenary Chair Professor at the Indian Institute of Science and a World Class University Professor at KAIST. His mentorship has fostered interdisciplinary collaboration and innovation worldwide.

🏅Awards: 

Dr. Goddard has received numerous accolades, including election to the National Academy of Sciences (1984) and the Royal Society of Chemistry Fellowship (2008). Notable awards include the Feynman Prize for Nanotechnology Theory (1999), NASA Space Sciences Awards (2000, 2009, 2012), and the ACS Award for Theoretical Chemistry (2007). His achievements extend internationally, such as an honorary doctorate from Uppsala University, Sweden (2004). He is consistently named a Clarivate Highly Cited Researcher (2018-2021) and was ranked #13 globally among chemistry scientists in 2023 by Research.com. In 2024, Dr. Goddard received the Horizon Prize from the Royal Society of Chemistry, recognizing his transformative contributions to theoretical chemistry.

🔬Research Focus:

William A. Goddard, III’s research focuses on developing theoretical methods and computational models for solving complex problems in chemistry, physics, and materials science. He pioneered molecular dynamics simulations, quantum mechanics applications, and catalysis studies, advancing fields such as nanotechnology and renewable energy. Key contributions include the design of new catalysts for sustainable processes, computational methods for polymers and alloys, and innovations in quantum molecular simulations. His interdisciplinary work addresses challenges in energy efficiency, water sustainability, and biomedical applications. By combining theory with experimentation, he bridges fundamental science and practical applications, influencing fields from aerospace to pharmaceuticals.

Publication Top Notes:

“UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations”
Authors: AK Rappé, CJ Casewit, KS Colwell, WA Goddard III, WM Skiff
Citations: 11,397
Year: 1992

“DREIDING: a generic force field for molecular simulations”
Authors: SL Mayo, BD Olafson, WA Goddard
Citations: 7,687
Year: 1990

“ReaxFF: a reactive force field for hydrocarbons”
Authors: ACT Van Duin, S Dasgupta, F Lorant, WA Goddard
Citations: 6,564
Year: 2001

“Starburst dendrimers: molecular-level control of size, shape, surface chemistry, topology, and flexibility from atoms to macroscopic matter”
Authors: DA Tomalia, AM Naylor, WA Goddard III
Citations: 4,707
Year: 1990

“Charge equilibration for molecular dynamics simulations”
Authors: AK Rappé, WA Goddard III
Citations: 3,743
Year: 1991

“Silicon nanowires as efficient thermoelectric materials”
Authors: AI Boukai, Y Bunimovich, J Tahir-Kheli, JK Yu, WA Goddard III, JR Heath
Citations: 3,474
Year: 2008

“Advances in molecular quantum chemistry contained in the Q-Chem 4 program package”
Authors: Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, …
Citations: 3,223
Year: 2015

“ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation”
Authors: K Chenoweth, ACT Van Duin, WA Goddard
Citations: 2,614
Year: 2008

“Catalysis research of relevance to carbon management: progress, challenges, and opportunities”
Authors: H Arakawa, M Aresta, JN Armor, MA Barteau, EJ Beckman, AT Bell, …
Citations: 1,675
Year: 2001

“Thermal conductivity of carbon nanotubes”
Authors: J Che, T Cagin, WA Goddard III
Citations: 1,535
Year: 2000

 

 

 

 

 

 Ahmed Hassan Bakheit | Computational Chemistry | Excellence in Research

Dr. Ahmed Hassan Bakheit | Computational Chemistry | Excellence in Research

Doctorate at  King Saud University, Saudi Arabia

Dr. Ahmed H. Bakheit is a distinguished researcher and educator specializing in analytical chemistry and pharmaceutical sciences. His academic journey includes earning a Ph.D. in Chemistry from Al-Neelain University, Sudan, where he conducted groundbreaking research on the interaction of anticancer drugs with serum albumin and DNA using advanced spectroscopic and molecular modeling techniques. Currently based at King Saud University, Saudi Arabia, he serves as a Researcher in the Department of Pharmaceutical Chemistry, focusing on pharmaceutical quality control, bioinformatics, and computational chemistry.

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ORCID Profile

Dr. Ahmed H. Bakheit is affiliated with the College of Pharmacy in Riyadh, Saudi Arabia. His research has garnered significant attention with 2,353 citations across 1,548 documents, resulting in an h-index of 29. His publications span various aspects of analytical chemistry and pharmaceutical sciences, contributing substantially to these fields. Dr. Bakheit’s ORCID profile provides additional details about his academic and research outputs.

Education

Dr. Bakheit completed his academic training at Al-Neelain University, Sudan. He obtained his Ph.D. in Analytical Chemistry in 2023, building upon earlier accomplishments with an M.Sc. in 2007 and a B.Sc. (Honors) in 2001, both in Analytical Chemistry. His educational background equipped him with comprehensive knowledge in spectroscopic methods, computational chemistry, and pharmaceutical analysis, laying a solid foundation for his research career.

Research Focus

Dr. Bakheit’s research interests encompass a broad spectrum within analytical chemistry and pharmaceutical sciences. He specializes in analytical method development, computational chemistry in drug discovery, spectroscopic investigation of drug-protein interactions, and pharmaceutical quality control. His work aims to advance understanding and application of analytical techniques, contributing to drug development and enhancing therapeutic efficacy.

Professional Journey

Dr. Bakheit’s professional journey began as a Teaching Assistant at Al-Neelain University, Sudan, where he gradually advanced to become a Lecturer before joining King Saud University in 2011 as a Researcher. Throughout his career, he has imparted knowledge in analytical chemistry and instrumental analysis to undergraduate and graduate students while making significant strides in research, publication, and academic leadership.

Honors & Awards

Dr. Bakheit has been recognized for his academic excellence and research contributions, receiving undergraduate prizes from Al-Neelain University and accolades from the Sudan Institute for Natural Sciences. These honors underscore his dedication to advancing scientific knowledge and fostering innovation in analytical chemistry and pharmaceutical sciences.

Publications Noted & Contributions

Dr. Bakheit has authored numerous influential publications in renowned journals such as Future Medicinal Chemistry, Molecules, and Crystals. His research contributions span critical areas including drug-protein interactions, computational chemistry, pharmaceutical quality control, and spectroscopic analysis. His publications are pivotal in advancing understanding and application of analytical techniques in pharmaceutical sciences.

Identification of Phytochemicals from Arabian Peninsula Medicinal Plants as Strong Binders to SARS-CoV-2 Proteases (3CL<sup>Pro</sup> and PL<sup>Pro</sup>) by Molecular Docking and Dynamic Simulation Studies

  • Published in Molecules, 2024
  • DOI: 10.3390/molecules29050998
  • Contributors: Saquib, Q.; Bakheit, A.H.; Ahmed, S.; Ansari, S.M.; Al-Salem, A.M.; Al-Khedhairy, A.A.

Ponatinib: A Comprehensive Drug Profile

  • Published in Profiles of Drug Substances, Excipients and Related Methodology, 2024
  • DOI: 10.1016/bs.podrm.2023.11.005
  • Contributors: Attwa, M.W.; Alkahtani, H.M.; El-Azab, A.S.; Abdel-Aziz, A.A.-M.; Abdelhameed, A.S.; Kadi, A.A.; Hassan, S.B.; Zeidan, D.W.; Bakheit, A.H.

Synthesis, Characterization, and Molecular Modeling of Novel 1,3,4-oxadiazole Derivatives of Mefenamic Acid

  • Published in Polish Journal of Chemical Technology, 2024
  • DOI: 10.2478/pjct-2024-0016
  • Contributors: Bhat, M.A.; Naglah, A.M.; Bakheit, A.H.; Al-Omar, M.A.

An Ultrafast UPLC–MS/MS Method for Characterizing the In Vitro Metabolic Stability of Acalabrutinib

  • Published in Molecules, 2023
  • DOI: 10.3390/molecules28207220
  • Contributors: Attwa, M.W.; Bakheit, A.H.; Abdelhameed, A.S.; Kadi, A.A.

Antiviral Activity of Some Benzo[g]quinazolines Against Coxsackievirus B4: Biological Screening and Docking Study

  • Published in Pharmacological Reports, 2023
  • DOI: 10.1007/s43440-023-00495-z
  • Contributors: Abuelizz, H.A.; Bakheit, A.H.; Marzouk, M.; El-Senousy, W.M.; Abdellatif, M.M.; Mostafa, G.A.E.; Saquib, Q.; Hassan, S.B.; Al-Salahi, R.

Research Timeline

Dr. Bakheit’s research career spans from his early academic roles as a Teaching Assistant and Lecturer at Al-Neelain University, Sudan, to his current position as a Researcher at King Saud University, Saudi Arabia. His timeline reflects continuous growth in research expertise and academic contributions in analytical chemistry and pharmaceutical sciences.

Collaborations and Projects

Dr. Bakheit actively collaborates with researchers nationally and internationally, engaging in interdisciplinary projects focused on drug development, spectroscopic analysis, and computational modeling. These collaborations enhance research outcomes and contribute to advancements in pharmaceutical sciences and analytical chemistry, addressing complex scientific challenges.

These paragraphs provide a detailed narrative of Dr. Ahmed H. Bakheit’s academic background, research impact, professional journey, and contributions to analytical chemistry and pharmaceutical sciences.