Solutions through computational chemistry

Solutions through computational chemistry

Solutions through computational chemistry

An intensive learning experience for scientists who want to turn molecular insight into better research decisions.

An intensive learning experience for scientists who want to turn molecular insight into better research decisions.

19 – 23 April 2027

Register interest to receive updates about future editions

OVERVIEW

From theory to confident research decisions.

From theory to confident research decisions.

This course equips you with the theoretical knowledge and practical skills necessary to effectively apply computational methods to create solutions in various fields of chemical research and industry, involving molecular and material sciences, such as polymers, catalysis, synthesis, energy, photochemistry, drug development, and more.


We empower you by making you an expert through didactic, interactive classes integrated with hands-on computer labs exploring the Amsterdam Density Functional (ADF) program within the Amsterdam Modelling Suite (AMS) software by SCM. This five-day experience guides you efficiently through three modules: Foundation, Professional, and Expert. You will leave us as a highly skilled expert in state-of-the-art techniques and strategies of computational chemistry. 


All participants receive digital preparation materials and instructive protocols. The course material includes a 30-day personal license to the ADF module, the AMS software's graphical user interface (GUI), and installation support.

This course equips you with the theoretical knowledge and practical skills necessary to effectively apply computational methods to create solutions in various fields of chemical research and industry, involving molecular and material sciences, such as polymers, catalysis, synthesis, energy, photochemistry, drug development, and more.


We empower you by making you an expert through didactic, interactive classes integrated with hands-on computer labs exploring the Amsterdam Density Functional (ADF) program within the Amsterdam Modelling Suite (AMS) software by SCM. This five-day experience guides you efficiently through three modules: Foundation, Professional, and Expert. You will leave us as a highly skilled expert in state-of-the-art techniques and strategies of computational chemistry. 


All participants receive digital preparation materials and instructive protocols. The course material includes a 30-day personal license to the ADF module, the AMS software’s graphical user interface (GUI), and installation support.

19 – 23 April 2027

From one to five days (see modules)

For academics and industry professionals with BSc in chemistry, physics, or related fields

English

O|2 Labgebouw, Vrije Universiteit Amsterdam

ADF program within the AMS package

30-day license right-to-use

Laptop compatible with AMS2026.1 software. Click here to check the hardware requirements.

Click here for the complete overview

Why TheoCheM Academy

Build the confidence to solve molecular challenges.

Build the confidence to solve molecular challenges.

Explore reaction mechanisms

Discover computational routes to understand, optimize, and control chemical processes.

Interpret molecular interactions

Analyze strengths, patterns, and molecular behaviour with practical confidence.

Create stronger descriptors

Generate quantum-chemical insight that turns data into better research directions.

TESTIMONIALS

What participants say

What participants say

  • 5

    Very interesting and useful course on theoretical chemistry, from which one really can learn and understand the power and impact of theoretical chemistry to gain insight and understand real-life chemistry examples and challenges.

    Dr. Ir. M. van der Schuur

    Research Manager

    Nouryon

  • 5

    Very interesting and useful course on theoretical chemistry, from which one really can learn and understand the power and impact of theoretical chemistry to gain insight and understand real-life chemistry examples and challenges.

    Dr. Ir. M. van der Schuur

    Research Manager

    Nouryon

  • 5

    Instructed by true experts in the field, the course seamlessly combined theory and practice that allowed even a physical chemistry 'layman' to perform useful calculations applicable to a variety of relevant reactions encountered in routine work. The course experience is by no means only utilitarian though, as the informal discussions surrounding the subject matter with lecturers and fellow attendees was relaxed, enjoyable and enlightening. Highly recommended to anyone seeking deeper insight into reactions or designing/optimising chemical processes and systems.

    A. Marais

    Senior Analytical Chemist

    OPCW

  • 5

    Instructed by true experts in the field, the course seamlessly combined theory and practice that allowed even a physical chemistry 'layman' to perform useful calculations applicable to a variety of relevant reactions encountered in routine work. The course experience is by no means only utilitarian though, as the informal discussions surrounding the subject matter with lecturers and fellow attendees was relaxed, enjoyable and enlightening. Highly recommended to anyone seeking deeper insight into reactions or designing/optimising chemical processes and systems.

    A. Marais

    Senior Analytical Chemist

    OPCW

  • 5

    Absolutely necessary to understand and perform computational calculations

    H.A. Rodríguez Hernández

    PhD student

    La Laguna University

  • 5

    Absolutely necessary to understand and perform computational calculations

    H.A. Rodríguez Hernández

    PhD student

    La Laguna University

  • 5

    The lectures were well-structured and easy to follow, making it clear how to apply the concepts in practice. There was plenty of assistance during the practical sessions, so you can actually understand and use the program. I would recommend this.

    M. Blom

    PhD student

    Universiteit van Amsterdam

  • 5

    The lectures were well-structured and easy to follow, making it clear how to apply the concepts in practice. There was plenty of assistance during the practical sessions, so you can actually understand and use the program. I would recommend this.

    M. Blom

    PhD student

    Universiteit van Amsterdam

  • 5

    TheoChem Academy is a fantastic opportunity to develop your skills, whether you're a novice or an expert in computational chemistry, thanks to its pedagogical approach, practical case studies and the expertise of its speakers.

    S. Essid

    PhD student

    Unitersité Paris-Saclay

  • 5

    TheoChem Academy is a fantastic opportunity to develop your skills, whether you're a novice or an expert in computational chemistry, thanks to its pedagogical approach, practical case studies and the expertise of its speakers.

    S. Essid

    PhD student

    Unitersité Paris-Saclay

  • 5

    I really enjoyed taking part in this course. The theoretical explanations were very complete and detailed, and so were the workbooks used for the hands-on sessions. All the instructors of the course, Daniela, Lucas, Célia and Matthias, were simply great. Easily accessible and always eager to help and discuss any questions in further detail. With this course I’ve learnt where I can incorporate ADF in my current research, and most importantly, how. A big thank you to all the organizers!

    A. Z. Sánchez

    PhD student

    Universitat Rovira i Virgili

  • 5

    I really enjoyed taking part in this course. The theoretical explanations were very complete and detailed, and so were the workbooks used for the hands-on sessions. All the instructors of the course, Daniela, Lucas, Célia and Matthias, were simply great. Easily accessible and always eager to help and discuss any questions in further detail. With this course I’ve learnt where I can incorporate ADF in my current research, and most importantly, how. A big thank you to all the organizers!

    A. Z. Sánchez

    PhD student

    Universitat Rovira i Virgili

  • 5

    The course builds up from the foundations of quantum chemistry to examples that, not only demonstrates the power of theoretical chemistry, but also shows what you can do and achieve within (your own) research. All four instructors are well expererienced and very nice.

    N. Sewgobind

    PhD student

    Utretch University

  • 5

    The course builds up from the foundations of quantum chemistry to examples that, not only demonstrates the power of theoretical chemistry, but also shows what you can do and achieve within (your own) research. All four instructors are well expererienced and very nice.

    N. Sewgobind

    PhD student

    Utretch University

  • 5

    As a person who was already introduced to computational chemistry (CC) and has already done calculations, I learned a lot! Quite some part of my PhD is going to be dedicated and will include CC, and I am so glad I got to do this course. The lecturers build up on basic concepts to the state-of-the-art concepts used in CC, supplemented with in-depth practicals that follow everything learned from lectures. In addition, the approach is extremely personal, and all the lecturers are more than prepared for any questions standing in the way of mastering the field of CC. Very much recommended!

    A. Mandić

    PhD student

    Vrije Universiteit Amsterdam

  • 5

    As a person who was already introduced to computational chemistry (CC) and has already done calculations, I learned a lot! Quite some part of my PhD is going to be dedicated and will include CC, and I am so glad I got to do this course. The lecturers build up on basic concepts to the state-of-the-art concepts used in CC, supplemented with in-depth practicals that follow everything learned from lectures. In addition, the approach is extremely personal, and all the lecturers are more than prepared for any questions standing in the way of mastering the field of CC. Very much recommended!

    A. Mandić

    PhD student

    Vrije Universiteit Amsterdam

  • 5

    The course is beginner friendly for anyone with a background in chemistry. Various topics of computational chemistry are explored such that after a week you can finally understand conference talks about it. Scientific articles involving computational chemistry will become understandable together with the hands on experience you get at the course.

    R. van Damme

    PhD student

    University of Amstedam

  • 5

    The course is beginner friendly for anyone with a background in chemistry. Various topics of computational chemistry are explored such that after a week you can finally understand conference talks about it. Scientific articles involving computational chemistry will become understandable together with the hands on experience you get at the course.

    R. van Damme

    PhD student

    University of Amstedam

  • 5

    I really liked this 5-day course. It was very well-structured, with lectures in the morning and immediately applying the topics during the tutorials in the afternoon. The lecturers were extremely good and clear in explaining the various topics. The tutorials were well put together, with useful exercise-booklets. Everyone was very friendly, and I feel like I learned a lot.

    L. Reems

    PhD student

    University of Amstedam

  • 5

    I really liked this 5-day course. It was very well-structured, with lectures in the morning and immediately applying the topics during the tutorials in the afternoon. The lecturers were extremely good and clear in explaining the various topics. The tutorials were well put together, with useful exercise-booklets. Everyone was very friendly, and I feel like I learned a lot.

    L. Reems

    PhD student

    University of Amstedam

  • 4

    An amazing course for theoretical chemistry for beginners. I loved that starting from scratch, I learned not only theoretically, but also practically, how I can design experiments that help me in my own research every day.

    J. Hendriks

    PhD student

    Maastricht University

  • 4

    An amazing course for theoretical chemistry for beginners. I loved that starting from scratch, I learned not only theoretically, but also practically, how I can design experiments that help me in my own research every day.

    J. Hendriks

    PhD student

    Maastricht University

  • 5

    The course was very beneficial and enriching. The speakers explained things very clearly and were very willing to answer any questions. Furthermore, the practical component was essential for a clear understanding of all the topics covered.

    C. Rodrigues Siqueira de Souza

    PhD student

    Universidade Federal do Rio de Janeiro

  • 5

    The course was very beneficial and enriching. The speakers explained things very clearly and were very willing to answer any questions. Furthermore, the practical component was essential for a clear understanding of all the topics covered.

    C. Rodrigues Siqueira de Souza

    PhD student

    Universidade Federal do Rio de Janeiro

  • 5

    It is a very interesting course that makes sure you can follow and understand all the topics covered.

    M. Cabrero Martí

    PhD student

    Institute of Computational Chemistry and Catalysis (IQCC)

  • 5

    It is a very interesting course that makes sure you can follow and understand all the topics covered.

    M. Cabrero Martí

    PhD student

    Institute of Computational Chemistry and Catalysis (IQCC)

  • 5

    The TheoCheM Academy is not only for getting a kick boosted start in quantum chemical DFT calculations as a beginner, but it also a great opportunity to deepen your knowledge if you are already an advanced user of computational software. A course that is constructed and led by experts in the field that can be recommended to anyone interested in computational chemistry!

    M. Luff

    PhD student

    Vrije Universiteit Amsterdam

  • 5

    The TheoCheM Academy is not only for getting a kick boosted start in quantum chemical DFT calculations as a beginner, but it also a great opportunity to deepen your knowledge if you are already an advanced user of computational software. A course that is constructed and led by experts in the field that can be recommended to anyone interested in computational chemistry!

    M. Luff

    PhD student

    Vrije Universiteit Amsterdam

  • 5

    This course is amazing for beginning and advanced computational chemists! Sufficiently in depth, but at the same time accessible for all.

    Y. Hordijk

    PhD student

    Vrije Universiteit Amsterdam

  • 5

    This course is amazing for beginning and advanced computational chemists! Sufficiently in depth, but at the same time accessible for all.

    Y. Hordijk

    PhD student

    Vrije Universiteit Amsterdam

  • 5

    The teachers were highly approachable and helpful, answering any questions and resolving any issues that arose during the course, which greatly contributed to the learning process.

    A. Khchoian

    PhD student

    University of Groningen

  • 5

    The teachers were highly approachable and helpful, answering any questions and resolving any issues that arose during the course, which greatly contributed to the learning process.

    A. Khchoian

    PhD student

    University of Groningen

MODULES

A pathway from foundations to mastery

A pathway from foundations to mastery

Foundation · Day 1

Learn the language of computational chemistry

Build a solid foundation of quantum mechanics, the tools you’ll use throughout the course and interpret computational output.

Achievements

Learn the ADF program

Compute properties

Generate spectra

Professional · Days 2–3

Connect structure, bonding, and reactivity


Connect molecular structure, bonding, and reactivity through guided analyses and discussion.


Achievements

Learn quantitative MO theory

Explain bonding mechanisms

Scan reaction pathways

Expert · Days 4–5

Turn a practical challenge into a plan


Learn to work from a real research question to choose a computational approach, apply advanced techniques, and explain your decisions.

Achievements

Plan a computational workflow

Understand complex problems

Learn rational design

PROGRAM OVERVIEW

A combination of interactive lectures and hands-on sessions

A combination of interactive lectures and hands-on sessions

Coffee & tea, lunches, and bites & drinks are included in the course fee.

LECTURERS

Meet our team of lecturers

TheoCheM Academy is design and taught by experienced members of the TheoCheM Group. You will learn from their own perspectives in every TheoCheM Academy session.

Daniela Rodrigues Silva

Daniela Rodrigues Silva

Lucas de Azevedo Santos

Lucas de Azevedo Santos

Célia Fonseca Guerra

Célia Fonseca Guerra

Matthias Bickelhaupt

Matthias Bickelhaupt

REGISTRATION

Reserve your place for the next TheoCheM Academy edition.

Reserve your place for the next TheoCheM Academy edition.

Complete the registration form to start your application.

Due to limited capacity, we encourage early registration as we work on a first come first serve basis.

Next edition · 19–23 April 2027

Amsterdam · 5 days · Foundation, Professional, & Expert

Registration form

INDUSTRY FEES

Choose your course modules

Register by 19 March 2027 to receive early-bird pricing.

Modules

Foundation, Professional & Expert

Standard

€5,500

Early bird

€4,500

Foundation & Professional

Standard

€4,500

Early bird

€3,500

LECTURES ONLY

Professional Fast Track

Standard

€3,500

Early bird

€2,500

Foundation

Standard

€2,000

Early bird

€1,500

ACADEMIC RATE

Full five-day course

For Ph.D. students, postdocs, and university staff. Academic status verification is required.

€1,000

Early bird: €700 until 19 March 2027

Additional €100 discount for KNCV members, VU students & staff, and HRSMC members.

The fee includes course materials, coffee & tea, lunches, and bites & drinks. The fee does not cover other meals and lodging.

FOR INDUSTRY PROFESSIONALS

The full 5-day course includes all three modules. For those who seek a more basic understanding, we offer a 3-day course including the Foundation and Professional modules, and a 1-day course including only the Foundation module.

Professional Fast Track: A 3-day condensed learning experience for industry professionals, featuring the morning lectures of the Foundation and Professional modules while skipping the afternoon hands-on sessions.

KNCV members receive a €100 discount.

FELLOWSHIPS FOR ACADEMIC COMMUNITY

A limited number of fellowships are available to facilitate the enrollment of Ph.D. students, postdocs, and staff from universities. The Academic Rate prices correspond to the full 5-day course. Proof of your academic and/or membership status will be requested.

Additional €100 discount for: KNCV members, VU students & staff, and HRSMC members.

VENUE

Learn together in Amsterdam.

The TheoCheM Academy takes place at the O|2 Labgebouw in the Vrije Universiteit Amsterdam. The venue is within walking distance of train, tram, and metro stations and is easily accessible from the airport and the city center.

O|2 Labgebouw
De Boelelaan 1108, 1081 HZ Amsterdam

The Netherlands

CONTACT

Let’s start a conversation

Let’s start a conversation

INTERNATIONAL EDITIONS

Bring TheoCheM Academy to your region

Planning an edition outside Europe or Amsterdam? Tell us where and we’ll explore what a tailored course could look like.

COURSE QUESTIONS

Need help with the course?

Ask about programme content, eligibility, registration, fees, or anything else you need to know before enrolling.